benzene — etichetta CAS 71-43-2

benzene

IARC Gruppo 1 — Sostanza cancerogena per l'uomo
CAS: 71-43-2 | Fonte IARC
EU SVHCUS TSCAUK UK_SVHCCA DSL_TOXICAU AICSMolGod Score: Primario

5,99 €

Reagente chimico Benzen (CAS 71-43-2). Scheda enciclopedica completa — classificazione, proprietà e dati di sicurezza — di seguito.

🔒 VENDITA BLOCCATA DAL SISTEMA

Benzen · restrizione (REACH Allegato XVII)

Allegato XVII · art. 67, par. 1 · regolamento REACH (CE) n. 1907/2006

Blocco applicato automaticamente dal canone normativo, non da una decisione dell'operatore. Base giuridica ↗

MolGod_SDSCARD_1
REACH 2020/878
v1 · 16.07.2026
Kategoria:
🧬 Visualizzatore di molecole 3D
Caricamento molecola...
Modello 3D Benzen, CAS 71-43-2, formula molecolare C6H6, massa molare 78.11 g/mol

Dati trascritti da registri normativi e letteratura tecnica, con indicazione della fonte e dell'edizione. Non sostituiscono la scheda di dati di sicurezza del fornitore. I campi privi di fonte registrata sono contrassegnati come tali.

Panoramica chimica: BenzenMolGod_OVERVIEW_1
Formula molecolareC6H6[1]
Peso molecolare78.11 g/mol[1]
Punto di fusione5.49 °C[1][2][3]
Punto di ebollizione80.09 °C (760 mmHg)[1][2][3]
Densità0.8765 g/cm³[1][2]
LogP (lipofilia)2.13[1]
Nome IUPACbenzene[1]
SMILESc1ccccc1
InChIKeyUHOVQNZJYSORNB-UHFFFAOYSA-N[1]

Sinonimi: Benzene

Fonti dei dati: PubChem (NLM/NIH), Reid, Prausnitz, Poling 4th ed. (1987)
Ultimo aggiornamento: 2026-08-05

📚 Riferimenti scientifici (Chicago Author-Date) (3 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Formula molecolare · Peso molecolare · Punto di fusione · Punto di ebollizione · Densità · LogP (lipofilia) · Nome IUPAC · InChIKey
  2. DECHEMA, PTB, and BAM. CHEMSAFE - Database of Evaluated Safety Characteristics for the Avoidance of Explosions. Frankfurt am Main: DECHEMA e.V.; Braunschweig/Berlin: Physikalisch-Technische Bundesanstalt and Bundesanstalt fur Materialforschung und -prufung. ↗ dotyczy: Punto di fusione · Punto di ebollizione · Densità
  3. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Punto di fusione · Punto di ebollizione

RICERCA SCIENTIFICA

[1]EuropePMC2026
Dominant factors governing benzene adsorption in soils: thermodynamic analysis and predictive modeling.
Chen, K; Zhu, H; Fu, Q; Rao, X. 2026. "Dominant factors governing benzene adsorption in soils: thermodynamic analysis and predictive modeling." Environmental science. Processes & impacts. https://doi.
Vai allo studio completo ↗
[2]EuropePMC2026
Strain, Chain, Repeat: Synthesis and Optoelectronic Properties of Poly(Naphthalene Benzene Vinylene)s.
Dhungel, B; Klopfenstein, M; Keer, A; Hannigan, MD. 2026. "Strain, Chain, Repeat: Synthesis and Optoelectronic Properties of Poly(Naphthalene Benzene Vinylene)s." ACS macro letters. https://doi.org/10
Vai allo studio completo ↗
[3]EuropePMC2026
Long-Term Ambient Benzene Exposure and Brain Disorders Among Urban Adults: Effect Modification by Genetic Susceptibility and Potential Mediation…
Guo, J; Zhong, X; Koutrakis, P; Vieira, CLZ. 2026. "Long-Term Ambient Benzene Exposure and Brain Disorders Among Urban Adults: Effect Modification by Genetic Susceptibility and Potential Mediation by
Vai allo studio completo ↗
[4]EuropePMC2026
Spatiotemporal variability of benzene in a petrochemical industrial complex: insights from repeated mobile SIFT-MS monitoring and comparison with…
Jung, JS; Choi, SJ; Lee, DK; Kim, SW. 2026. "Spatiotemporal variability of benzene in a petrochemical industrial complex: insights from repeated mobile SIFT-MS monitoring and comparison with Me-DOAS."
Vai allo studio completo ↗
[5]EuropePMC2026
Hydroxylation effects on the DFT-modeled adsorption of benzene and cyclohexane on hematite.
Zubieta, CE; Aquino-Linarez, LG; Rossi-Fernández, A; Belelli, PG. 2026. "Hydroxylation effects on the DFT-modeled adsorption of benzene and cyclohexane on hematite." Journal of molecular graphics & mo
Vai allo studio completo ↗
[6]EuropePMC2026
Direct Alkane-Benzene Coupling Reactions with Bifunctional Zeolite-Encapsulated Metal Catalysts with Subnanoscale Intimacy.
Wang, H; Gao, M; Li, W; He, Z. 2026. "Direct Alkane-Benzene Coupling Reactions with Bifunctional Zeolite-Encapsulated Metal Catalysts with Subnanoscale Intimacy." Journal of the American Chemical Soci
Vai allo studio completo ↗
[7]EuropePMC2026
Benzene exposures during tank washing activities on crude oil tankers.
Nicas, M. 2026. "Benzene exposures during tank washing activities on crude oil tankers." Annals of work exposures and health. https://doi.org/10.1093/annweh/wxag038.
Vai allo studio completo ↗
[8]EuropePMC2026
Engineering Oxygen Vacancies via Crystal-Phase Modulation in Mn-Ce Oxides for Toluene and Benzene Oxidation.
Lai, J; Li, Y; Yin, C; Mao, K. 2026. "Engineering Oxygen Vacancies via Crystal-Phase Modulation in Mn-Ce Oxides for Toluene and Benzene Oxidation." Inorganic chemistry. https://doi.org/10.1021/acs.ino
Vai allo studio completo ↗
📚 Riferimenti scientifici (Chicago Author-Date) 16 refs · 1 baz

MOLEKUŁA Bibliografia per-CAS (live da 13+ banche dati)

Fonti: db:europepmc (16)

  1. db:europepmc Chen, K; Zhu, H; Fu, Q; Rao, X. 2026. "Dominant factors governing benzene adsorption in soils: thermodynamic analysis and predictive modeling." Environmental science. Processes & impacts. https://doi.org/10.1039/d6em00027d. →
  2. db:europepmc Dhungel, B; Klopfenstein, M; Keer, A; Hannigan, MD. 2026. "Strain, Chain, Repeat: Synthesis and Optoelectronic Properties of Poly(Naphthalene Benzene Vinylene)s." ACS macro letters. https://doi.org/10.1021/acsmacrolett.6c00194. →
  3. db:europepmc Guo, J; Zhong, X; Koutrakis, P; Vieira, CLZ. 2026. "Long-Term Ambient Benzene Exposure and Brain Disorders Among Urban Adults: Effect Modification by Genetic Susceptibility and Potential Mediation by Plasma Proteins." Advanced science (Weinheim, Baden-Wurttemberg, Germany). https://doi.org/10.1002/advs.75874. →
  4. db:europepmc Jung, JS; Choi, SJ; Lee, DK; Kim, SW. 2026. "Spatiotemporal variability of benzene in a petrochemical industrial complex: insights from repeated mobile SIFT-MS monitoring and comparison with Me-DOAS." Environmental monitoring and assessment. https://doi.org/10.1007/s10661-026-15488-7. →
  5. db:europepmc Zubieta, CE; Aquino-Linarez, LG; Rossi-Fernández, A; Belelli, PG. 2026. "Hydroxylation effects on the DFT-modeled adsorption of benzene and cyclohexane on hematite." Journal of molecular graphics & modelling. https://doi.org/10.1016/j.jmgm.2026.109457. →
  6. db:europepmc Wang, H; Gao, M; Li, W; He, Z. 2026. "Direct Alkane-Benzene Coupling Reactions with Bifunctional Zeolite-Encapsulated Metal Catalysts with Subnanoscale Intimacy." Journal of the American Chemical Society. https://doi.org/10.1021/jacs.5c21822. →
  7. db:europepmc Nicas, M. 2026. "Benzene exposures during tank washing activities on crude oil tankers." Annals of work exposures and health. https://doi.org/10.1093/annweh/wxag038. →
  8. db:europepmc Lai, J; Li, Y; Yin, C; Mao, K. 2026. "Engineering Oxygen Vacancies via Crystal-Phase Modulation in Mn-Ce Oxides for Toluene and Benzene Oxidation." Inorganic chemistry. https://doi.org/10.1021/acs.inorgchem.6c01240. →
  9. db:europepmc Demuth, T; Svatunek, D. 2026. "Insights into Tetrazine-Benzene Cycloadditions." The journal of physical chemistry. A. https://doi.org/10.1021/acs.jpca.6c01346. →
  10. db:europepmc Elhadad, SM; Ea, S; Saleh, IH; Omar, MY. 2026. "Sustainable indoor air quality via plant-based biofiltration evaluating benzene and toluene removal efficiency and health risk reduction in pharmaceutical laboratories." Scientific reports. https://doi.org/10.1038/s41598-026-54339-w. →
  11. db:europepmc Chen, H; Lin, B; Wei, W; Hao, J. 2026. "Mn-MIL-100-Derived CuO/Mn<sub>2</sub>O<sub>3</sub>-Mn<sub>5</sub>O<sub>8</sub> Composite Catalysts for Benzene Oxidation: Synergistic Effect and High Performance." Langmuir : the ACS journal of surfaces and colloids. https://doi.org/10.1021/acs.langmuir.6c00913. →
  12. db:europepmc Nishimura, N; Murakami, TN. 2026. "TIPS-benzene-based two-dimensional perovskites." Chemical communications (Cambridge, England). https://doi.org/10.1039/d6cc01157h. →
  13. db:europepmc Park, HW; Kim, Y; Lee, SY; Kim, Y. 2026. "Lymphoid neoplasms and benzene exposure using a revised classification scheme: systematic review and meta-analysis." Occupational and environmental medicine. https://doi.org/10.1136/oemed-2025-110652. →
  14. db:europepmc Choi, I; Choi, Y; Lee, HS; Jung, HY. 2026. "Hematopoietic carcinogen assessment in bulk chemical products and air samples: focus on benzene exposure among subway maintenance workers." Inhalation toxicology. https://doi.org/10.1080/08958378.2026.2671346. →
  15. db:europepmc Zhang, P; Hu, D; Yang, C; Mu, S. 2026. "Superior Benzene Catalytic Oxidation over Co<sub>3</sub>O<sub>4</sub> Catalysts with Oxygen Vacancy-Rich Co Sites." Langmuir : the ACS journal of surfaces and colloids. https://doi.org/10.1021/acs.langmuir.6c00687. →
  16. db:europepmc Smith, B; Cadby, P; DiNovi, M; Setzer, RW. 2010. "Application of the Margin of Exposure (MoE) approach to substances in food that are genotoxic and carcinogenic: example: benzene, CAS: 71-43-2." Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2009.10.015. →
📊 Proprietà fisico-chimiche

Riferimento rapido

Formula: C6H6
MW: 78.11 g/mol
CAS: 71-43-2
Aspetto: Liquido limpido, incolore
Odore: Odore aromatico

Proprietà dettagliate

Uzupełnienie tabeli „Właściwości fizykochemiczne (baza danych)” poniżej — powtórzone wartości pokazujemy tylko raz.

Proprietà Valore Unità Conditions Source
Indice di rifrazione (nD) 1.5011[1] 20 °C, D-line Reid, Prausnitz, Poling 4th ed. (1987)
🔬 Proprietà avanzate

Identificatori chimici

SMILES: c1ccccc1

Fonti dei dati: Reid, Prausnitz, Poling 4th ed. (1987) (ISBN 9780070517998)

Ultimo aggiornamento: 2026-06-30

📚 Riferimenti scientifici (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Indice di rifrazione (nD)
Stato normativo della sostanza
Elenchi: EU/SVHC, US/TSCA, UK/UK_SVHC, CA/DSL_TOXIC, AU/AICS. Informazione normativa — non limita l'acquisto nel negozio.
🧮 Calcolatore stechiometricoMolGod_STOICH_1
🔍 Identificatori esterniMolGod_EXTID_1
13 su 16 sistemi ID81%
DatabaseIdentificatoreAzioni
CAS Registry Number71-43-2Apri →
PubChem CID241[1]Apri →
InChIKeyUHOVQNZJYSORNB-UHFFFAOYSA-N[1]Apri →
InChIInChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H[1]
SMILESc1ccccc1[1]
EC Number200-753-7[2]Apri →
KEGG CompoundC01407Apri →
HMDBHMDB0001505Apri →
ChemSpider236[3]Apri →
MeSH UID (NLM)D001554Apri →
UNII (FDA)J64922108FApri →
NSC Number (NCI)67315Apri →
WikiData QIDQ2270Apri →

Fonti: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📚 Riferimenti scientifici (Chicago Author-Date) (3 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number
  3. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ dotyczy: ChemSpider
📡 Spettroscopia — CAS 71-43-2MolGod_SPECHUB_MAIN
📊 Spettri (NMR, IR, MS, UV-Vis) (1)

Tipi di spettri disponibili: IR

Spettro IR (KBr, 4000-400 cm⁻¹)

440 punti dati · Fonte: NIST WebBook · NIST ↗ · 📥 JCAMP-DX
🎓 Guida all'interpretazione degli spettri (per studenti)
Come leggere uno spettro IR
  • 3200-3600 cm⁻¹ — stiramento O-H (picco allargato = legame a idrogeno)
  • 2850-3000 cm⁻¹ — stiramento C-H (sp³)
  • 1650-1750 cm⁻¹ — stiramento C=O (chetoni, aldeidi, esteri)
  • 1400-1600 cm⁻¹ — vibrazioni dell'anello aromatico
  • 1000-1300 cm⁻¹ — stiramento C-O (eteri, alcoli)
  • Nessun assorbimento = gruppo funzionale assente → confrontare con un riferimento

Fonti: LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Riferimenti scientifici (Chicago Author-Date) (7 sources)
  1. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  2. Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
  3. Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
  4. Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
  5. Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. ↗
  6. McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
  7. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
📐 Proprietà fisico-chimiche (database) 25 campi MolGod Score: Primario
Proprietà Valore Unità Conditions Source
Punto di fusione 5.49 [1][2][3] °C 1 atm Reid, Prausnitz, Poling 4th ed. (1987)
Punto di ebollizione 80.09 [1][2][3] °C 760 mmHg Reid, Prausnitz, Poling 4th ed. (1987)
Solubilità in acqua 1.79 [1] g/L 25°C Reid, Prausnitz, Poling 4th ed. (1987)
Densità (ρ) 0.8765 [1][3] g/cm³ 20°C Reid, Prausnitz, Poling 4th ed. (1987)
Indice di rifrazione (n_D) 1.5011 [3] — 20°C, sodium D Reid, Prausnitz, Poling 4th ed. (1987)
Viscosità (η) 0.604 cP 25°C Reid, Prausnitz, Poling 4th ed. (1987)
Tensione di vapore 95.2 [4] mmHg 25°C Reid, Prausnitz, Poling 4th ed. (1987)
Punto di infiammabilità -11 [1][3] °C closed cup No primary source
Temperatura di autoaccensione 498 °C in air No primary source
UV λmax 254 nm hexane No primary source
UV εmax 200 M⁻¹·cm⁻¹ at λmax No primary source
UV λmax (alt) 204 nm cyclohexane (E2 band) No primary source
logP (ottanolo/acqua) 2.13 [3][5] — No primary source
logD (pH 7) 2.13 — pH 7 Reid, Prausnitz, Poling 4th ed. (1987)
Costante dielettrica (ε) 2.28 — Reid, Prausnitz, Poling 4th ed. (1987)
Tensione superficiale 28.2 mN/m Reid, Prausnitz, Poling 4th ed. (1987)
Calore specifico (cp) 1.74 J/(g·K) Reid, Prausnitz, Poling 4th ed. (1987)
Conducibilità termica (k) 0.141 W/(m·K) Reid, Prausnitz, Poling 4th ed. (1987)
Momento dipolare (μ) 0 D Reid, Prausnitz, Poling 4th ed. (1987)
ΔH di vaporizzazione 33.83 kJ/mol Reid, Prausnitz, Poling 4th ed. (1987)
ΔH di fusione 9.95 kJ/mol at mp Reid, Prausnitz, Poling 4th ed. (1987)
Temperatura critica (Tc) 288.9 °C critical point Reid, Prausnitz, Poling 4th ed. (1987)
Pressione critica (Pc) 48.9 bar critical point Reid, Prausnitz, Poling 4th ed. (1987)
Fattore acentrico (ω) 0.212 — Pitzer Reid, Prausnitz, Poling 4th ed. (1987)
Solubilità in etanolo miscible — opis jakościowy (bez wartości liczbowej) Reid, Prausnitz, Poling 4th ed. (1987)
📚 Riferimenti scientifici (Chicago Author-Date) (5 sources)
  1. DECHEMA, PTB, and BAM. CHEMSAFE - Database of Evaluated Safety Characteristics for the Avoidance of Explosions. Frankfurt am Main: DECHEMA e.V.; Braunschweig/Berlin: Physikalisch-Technische Bundesanstalt and Bundesanstalt fur Materialforschung und -prufung. ↗ dotyczy: Punto di fusione · Punto di ebollizione · Solubilità in acqua · Densità (ρ) · Punto di infiammabilità
  2. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Punto di fusione · Punto di ebollizione
  3. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Punto di fusione · Punto di ebollizione · Densità (ρ) · Indice di rifrazione (n_D) · Punto di infiammabilità · logP (ottanolo/acqua)
  4. Sorbe, G. Sicherheitstechnische Kenndaten chemischer Stoffe. Loose-leaf collection. Landsberg/Lech: ecomed. dotyczy: Tensione di vapore
  5. Sangster, J. "Octanol-Water Partition Coefficients of Simple Organic Compounds." Journal of Physical and Chemical Reference Data 18, no. 3 (1989): 1111-1229. ↗ dotyczy: logP (ottanolo/acqua)

I valori fisico-chimici provengono da fonti indipendenti e sottoposte a revisione paritaria elencate sopra.

🔄 Convertitore di unità di concentrazione LIVE MolGod_UNITCONV_1

Inserisci la concentrazione Benzen in qualsiasi unità — il resto verrà calcolato automaticamente.

MW: 78.11 g/mol · IUPAC Gold Book ↗

⚗️ Formule di conversione + citazioni (per formula)
ConversionFormulaAccuratezzaSource
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliografia (8 fonti autorevoli)
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
🧪 Procedura guidata di preparazione della soluzione WIZARD MolGod_PREP_1
① Seleziona la concentrazione
② Volume finale
③ Solvente

Calcoli secondo: IUPAC Gold Book ↗, Merck ↗

🔬 Guida al controllo della purezza Controllo qualità

Verifica la purezza del reagente utilizzando metodi analitici standardizzati. Seleziona un metodo di analisi qui sotto e inserisci i risultati delle misurazioni per il calcolo automatico.

🛡️ Sicurezza — CAS 71-43-2MolGod_SAFEHUB_MAIN
Avviso sulle limitazioni dei dati. Le informazioni sulla sicurezza contenute in questa pagina hanno carattere informativo e non sostituiscono la scheda di dati di sicurezza (SDS) completa. Prima di utilizzare il prodotto, consultare la scheda di dati di sicurezza aggiornata del produttore e le linee guida GHS/CLP. La classificazione CLP riguarda la sostanza pura bulk, non i preparati commerciali.

Classificazione GHS/CLP — Regolamento (CE) n. 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Pericolo (Danger)
GHS02 — Infiammabile
GHS02 Infiammabile
GHS07 — Irritante / nocivo
GHS07 Irritante / nocivo
GHS08 — Pericolo per la salute
GHS08 Pericolo per la salute

🚨 Indicazioni di pericolo (H)

  • H225 — Liquido e vapori facilmente infiammabili.
  • H350 — Può provocare il cancro.
  • H340 — Può provocare alterazioni genetiche.
  • H304 — Può essere letale in caso di ingestione e di penetrazione nelle vie respiratorie.
  • H372 — Provoca danni agli organi in caso di esposizione prolungata o ripetuta.
  • H315 — Provoca irritazione cutanea.
  • H319 — Provoca grave irritazione oculare.

🛡 Consigli di prudenza (P)

  • P201 — Procurarsi istruzioni specifiche prima dell’uso.
  • P202 — Non manipolare prima di avere letto e compreso tutte le avvertenze.
  • P210 — Tenere lontano da fonti di calore, superfici calde, scintille, fiamme libere o altre fonti di accensione. Non fumare.
  • P233 — Tenere il recipiente ben chiuso.
  • P240 — Mettere a terra e a massa il contenitore e il dispositivo ricevente.
  • P260 — Non respirare la polvere/i fumi/i gas/la nebbia/i vapori/gli aerosol.
  • P264 — Lavare accuratamente … dopo l’uso.
  • P280 — Indossare guanti/indumenti protettivi/Proteggere gli occhi/il viso.
  • P301+P310 — IN CASO DI INGESTIONE: Contattare immediatamente un CENTRO ANTIVELENI/un medico/…
  • P302+P352 — IN CASO DI CONTATTO CON LA PELLE: Lavare abbondantemente con acqua/…
  • P303+P361+P353 — IN CASO DI CONTATTO CON LA PELLE (o con i capelli): Togliere immediatamente tutti gli indumenti contaminati.; Sciacquare la pelle [o fare una doccia].
  • P305+P351+P338 — IN CASO DI CONTATTO CON GLI OCCHI: Sciacquare accuratamente per parecchi minuti.; Togliere le eventuali lenti a contatto se è agevole farlo. Continuare a sciacquare.
  • P308+P313 — IN CASO di esposizione o di possibile esposizione: Consultare un medico.
  • P314 — In caso di malessere, consultare un medico.
  • P331 — NON provocare il vomito.
  • P332+P313 — In caso di irritazione della pelle: Consultare un medico.
  • P337+P313 — Se l’irritazione degli occhi persiste: Consultare un medico.
  • P370+P378 — In caso di incendio: Utilizzare … per estinguere.
  • P403+P235 — Conservare in luogo ben ventilato.: Conservare in luogo fresco.
  • P405 — Conservare sotto chiave.
  • P501 — Smaltire il prodotto/recipiente in …

✓ Classificazione armonizzata ai sensi dell'allegato VI del regolamento CLP (CE) 1272/2008 (classificazione ufficiale, vincolante). Numero indice: 601-020-00-8.

Riferimento (Chicago): European Chemicals Agency. "benzene, Index No. 601-020-00-8." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

⚠ IARC — Gruppo 1: cancerogeno per l'uomo. (Valutazione indipendente delle evidenze di cancerogenicità da parte di IARC/WHO — integra la classificazione CLP soprastante.)
Riferimento (Chicago): IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 71-43-2. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.

Traduzioni: Regolamento CLP (CE) 1272/2008, Allegato III e IV. Dati: PubChem/NLM.

📚 Riferimenti scientifici consolidati — Chicago Author-Date 10 sources

Riferimenti raccolti da tutte le schede del Safety Hub. CAS: 71-43-2 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Normative
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Le schede con riferimenti propri (Emergency, PPE, Storage, Waste) contengono ulteriori voci bibliografiche all'interno delle rispettive sezioni.

📈 Statistica analitica (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Incolla una serie di misure replicate (CSV oppure un numero per riga). Il calcolatore calcolerà la media, la deviazione standard e il 95% CI, e rileverà gli outlier (Grubbs + Dixon Q).

Separatore: virgola, spazio, tab, nuova riga. Min 3 misurazioni.
📐 Formule statistiche
  • x̄ = Σxᵢ / n — media aritmetica
  • s² = Σ(xᵢ - x̄)² / (n-1) — varianza campionaria
  • s = √s² — deviazione standard
  • RSD% = (s / x̄) × 100% — deviazione standard relativa
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — test di Grubbs
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Fonte: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Calcolatore di ricette per tamponi UNIQUE
Bibliografia: Valori di pKa da Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Scegli un tampone dall'elenco di 20 sistemi popolari → inserisci il pH target → otterrai una ricetta esatta con le masse da pesare.

Passo 1: Scegli un sistema tampone

📜 Cronologia delle ricette (ultime 10)
🚚 Classificazione di trasporto (ADR / IATA / IMDG) UN 1114
Numero UN
UN 1114
Benzene
Flammable Carcinogen
Source: ADR 2025 Tabela A (adr_dangerous_goods.json)

🛣️ ADR Trasporto stradale

Classe:
3
Gruppo di imballaggio:
II
Nome di spedizione:
Benzene
Codice galleria:
(D/E)
Limited Quantity (L):
1

✈️ IATA Trasporto aereo

Classe:
3
Istruzioni di imballaggio:
352 / 364
Quantità max (PAX):
1 L
Quantità max (CAO):
60 L

🚢 IMDG Trasporto marittimo

Classe:
3
EmS Code:
F-E, S-D

Fonti: ADR 2025 ↗ · IATA DGR ↗ · IMDG Code ↗

📊 Validazione del metodo HPLC (ICH Q2(R1)) PARTIAL

3 of 3 critical metrics need experimental data

Parametro Valore Unità Criterio ICH Q2 Status
Linearità (R²) nessun dato unitless R² ≥ 0.999 (≥0.99 per la bioanalitica) —
LOD (S/N = 3:1) nessun dato ng/mL S/N ≥ 3:1 (concentrazione rilevabile più bassa) —
LOQ (S/N = 10:1) nessun dato ng/mL S/N ≥ 10:1 (LOQ ≥ 3×LOD tipicamente) —
Precisione (RSD intraday, n=6) nessun dato % RSD RSD ≤ 2% (intraday) / ≤ 3% (interday) per l'API —
Accuratezza (recupero, 3 livelli) nessun dato % (target 100±2%) Recovery 98-102% (target 100%) —
Intervallo di linearità nessun dato es. 0.1-100 ng/mL Min. 80-120% della concentrazione nominale —
Selettività/Specificità nessun dato qualitative Nessuna interferenza — picco dell'analita completamente risolto (Rs ≥ 2.0) —
Robustezza (robustness) nessun dato RSD < 2% con variazione del ±5% RSD < 2% con piccole variazioni dei parametri —
Legend: ✓ PASS ⚠ CAUTION ✗ FAIL — NO_DATA
📚 Riferimenti scientifici (Chicago Author-Date) — fare clic per espandere

Standard di convalida dei metodi analitici — 4 fonti indipendenti (ICH + USP + AOAC + Snyder).

  1. International Conference on Harmonisation (ICH). 2005. Validation of Analytical Procedures: Text and Methodology Q2(R1). ICH Expert Working Group. [link ↗] — Gold-standard ICH guideline — accepted by EMA, FDA, MHLW, NMPA
  2. United States Pharmacopeia (USP) Convention. 2024. USP General Chapter <621> Chromatography. USP-NF 2024 ed. USP. [link ↗]
  3. AOAC International. 2016. Appendix F: Guidelines for Standard Method Performance Requirements. AOAC INTERNATIONAL. [link ↗] — AOAC SMPR — alternative to ICH Q2 for food/dietary supplements
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Industry standard textbook — Chapter 11 covers method validation
  5. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Classic method-development reference (DryLab heritage).
  6. Rozet, Eric, et al.. 2013. Analysis of recent pharmaceutical regulatory documents on analytical method validation. https://doi.org/10.1016/j.chroma.2007.03.111 [link ↗] — Comparison of FDA / EMA / ICH validation expectations — used for ICH Q2(R1) interpretation.
  7. Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — Plackett-Burman design for robustness — basis of ICH Q2 §3.7.
  8. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Modern (UHPLC) update of validation chapter — practical RSD/LOD examples.
  9. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — European pharmacopeial perspective — complements USP/AOAC.
  10. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. HPLC for Pharmaceutical Scientists. Wiley-Interscience. ISBN 978-0-471-68162-4. https://doi.org/10.1002/9780470087954 [link ↗] — Pharma-focused validation case studies (specificity, robustness).
  11. European Medicines Agency (EMA). 2011. Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009. EMA Committee for Medicinal Products for Human Use. [link ↗] — EMA bioanalytical companion to ICH Q2(R1) for clinical samples.

· ⚠ Avvisi normativi SVHC/REACH ↑

🔧 Risoluzione dei problemi HPLC — albero decisionale 6 problemi comuni

Diagnostica dei 6 problemi HPLC più comuni con albero decisionale (5 passaggi per problema). Fonte: Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.

Picchi allargati (broad peaks) medium

Sintomo: Tutti i picchi nel cromatogramma sono più larghi del previsto (FWHM > 2× della norma)

🔍 Albero diagnostico:
  1. 1. Verifica se tutti i picchi sono allargati o solo alcuni
    → SÌ: Tutti → problema strumentale (colonna o sistema)
    → NO: Solo alcuni → problema chimico (interazione con la colonna per analiti specifici)
  2. 2. Sostituisci con una colonna di prova — il problema scompare?
    → SÌ: COLONNA usurata — packing danneggiato, void nei primi mm. Sostituiscila.
    → NO: Problema nel sistema LC
  3. 3. Controllare il volume morto (dead volume) — loop di iniezione, connessioni, rivelatore
    → SÌ: Loop > 100 µL per una colonna da 4.6 mm o connessioni allentate → sostituire le ferrule, accorciare i tubi
    → NO: Continua diagnostica
  4. 4. Test di temperatura: aumentare la colonna da 25°C a 40°C
    → SÌ: Picchi più stretti → cinetica di trasferimento di massa troppo lenta (aumentare T)
    → NO: Continue
  5. 5. Controllare il flow rate rispetto al valore ottimale di van Deemter per questa colonna
    → SÌ: Ottimale per 4.6mm/5µm = 1.0 mL/min, per 2.1mm/3µm = 0.4 mL/min
    → NO: Continue
⚠️ Cause comuni:
  • Colonna usurata (>2000 iniezioni senza guard)
  • Volume morto del sistema > 100 µL (loop errato, tubi lunghi, ferrule allentate)
  • Temperatura troppo bassa (cinetica di trasferimento di massa)
  • Flow rate al di fuori dell'ottimale di van Deemter
  • Solvente del campione più forte della fase A
✓ Soluzioni:
  • ✓ Sostituire la colonna (quando >2000 iniezioni)
  • ✓ Controllare tutte le connessioni — tubi il più corti possibile
  • ✓ Aumentare la T della colonna a 40°C (se la sostanza è stabile)
  • ✓ Ridurre il flow all'ottimale di van Deemter
  • ✓ Sciogliere il campione nella fase A (non in organico puro)
Coda dei picchi (tailing, T > 1.5) high

Sintomo: I picchi presentano una "coda" prolungata sul lato di eluizione tardiva (asimmetria T = b/a > 1.5 secondo USP)

🔍 Albero diagnostico:
  1. 1. La sostanza contiene gruppi basici (ammino, piridina)?
    → SÌ: Sì → interazioni silanoliche! Aggiungere 0.1% TFA o 5-10 mM TEA alla fase A.
    → NO: Continue
  2. 2. Controllare il pH della fase mobile rispetto al pKa della sostanza
    → SÌ: pH = pKa ± 1 → ionizzazione parziale, peak split. Portare il pH a ≥ 2 unità di distanza dal pKa.
    → NO: Continue
  3. 3. Controllare l'età della colonna (>1500 iniezioni?)
    → SÌ: Sì → silanoli esposti (column bleed). Sostituire con una colonna con endcapping più elevato (XTerra, Symmetry).
    → NO: Continue
  4. 4. Il campione contiene metalli (Fe, Cu dalle fiale di vetro)?
    → SÌ: Sì → utilizzare fiale incolori di tipo II o PFA. EDTA 0.1mM nel campione.
    → NO: Continue
⚠️ Cause comuni:
  • Interazioni silanoliche (analita basico + silanoli liberi del gel di silice)
  • pH al limite del pKa dell'analita (peak split)
  • Colonna vecchia (column bleed, elevata attività silanolica)
  • Metalli nel campione (chelazione → tailing)
  • Sovraccarico della colonna (>50 µg su una colonna da 4.6mm)
✓ Soluzioni:
  • ✓ Aggiungere 0.1% TFA (UV) o 0.1% acido formico (LC-MS) alla fase A
  • ✓ Scegliere una colonna con endcapping ad alta purezza: Waters XBridge BEH, Phenomenex Kinetex
  • ✓ Lavorare a pH ≥ 2 unità di distanza dal pKa
  • ✓ EDTA 0.1mM nel campione (chelazione Fe/Cu)
  • ✓ Ridurre il volume di iniezione a ≤ 20 µL per una colonna da 4.6mm
Deriva della linea di base (baseline drift) medium

Sintomo: La linea di base aumenta o diminuisce sistematicamente per >5 minuti

🔍 Albero diagnostico:
  1. 1. Si sta utilizzando un gradiente (B% in aumento)?
    → SÌ: Sì → assorbimento diverso delle fasi A e B a dλ. Cambio di solvente nell'UV-cutoff. Controllare l'assorbanza UV del % di organico.
    → NO: Continua (isocratico)
  2. 2. Controllare la temperatura della colonna — è stabile a ±0.5°C?
    → SÌ: Sì (stabile) → continua
    → NO: Instabile → attivare il termostato della colonna (>25°C controllato)
  3. 3. Test: spegnere l'autosampler, far funzionare solo pompa+colonna+rivelatore
    → SÌ: La deriva scompare → contaminazione dell'autosampler (pulire l'ago, il septum)
    → NO: Continue
  4. 4. Controllare l'età della lampada (D2 per UV)
    → SÌ: Sì (>1500 ore) → sostituire la lampada
    → NO: Continue
⚠️ Cause comuni:
  • Eluizione a gradiente con UV-cutoff diverso delle fasi
  • T della colonna instabile
  • Contaminazione dell'ago/septum dell'autosampler
  • Lampada UV vecchia (>1500h)
  • Cella di flusso del rivelatore sporca
  • Colonna non equilibrata (<10 volumi di colonna)
✓ Soluzioni:
  • ✓ Pre-equilibrare la colonna per 10-15 volumi di colonna al 100% A
  • ✓ Termostato colonna attivo, T 30-40°C stabile
  • ✓ Pulire la flow cell del rivelatore con soluzione ACN:H2O 50:50
  • ✓ Sostituire la lampada D2 se >1500h
  • ✓ Usare la baseline subtraction (funzione nativa Chromeleon, Empower)
Nessun picco / picco perso (no peak) critical

Sintomo: Il picco atteso dell'analita non compare nel cromatogramma

🔍 Albero diagnostico:
  1. 1. L'iniezione è stata effettivamente eseguita?
    → SÌ: Controllare il log dell'autocampionatore, la pressione della pompa (dovrebbe calare durante l'iniezione)
    → NO: Problema dell'autocampionatore → controllare il loop, l'ago, il campione nella fiala
  2. 2. Il campione è nella fiala (volume corretto, non evaporato)?
    → SÌ: Continue
    → NO: Nessun campione — ri-pipettare
  3. 3. Stabilità del campione — preparato >24h fa?
    → SÌ: Sì → degradazione. Ri-preparare un campione fresco.
    → NO: Continue
  4. 4. Controllare la lunghezza d'onda di rilevazione rispetto al λmax della sostanza
    → SÌ: Rilevazione a λ NON corrisponde al λmax → nessun segnale. Scansione DAD 200-400nm.
    → NO: Continue
  5. 5. Test: iniettare uno standard puro (di concentrazione nota, fresco)
    → SÌ: Lo standard dà un picco → problema con il campione (matrice, derivatizzazione)
    → NO: Nessun picco anche con lo standard → problema di sistema (colonna, fase, gradiente)
⚠️ Cause comuni:
  • Campione non prelevato dalla fiala (bug dell'autocampionatore)
  • Campione degradato (>24h pH/temp/luce)
  • Rilevazione alla lunghezza d'onda errata
  • Fase mobile errata (es. TFA dimenticato)
  • Colonna invertita / fase stazionaria errata
  • La sostanza eluisce sul fronte (V0) → non trattenuta, non visibile
✓ Soluzioni:
  • ✓ Ri-preparare un campione fresco secondo il protocollo esatto
  • ✓ Scansione UV-Vis DAD 200-400nm + ricerca del λmax
  • ✓ Controllare la composizione della fase mobile — TFA aggiunto?
  • ✓ Testare la direzione inversa della colonna (con cautela!)
  • ✓ Per ritenzione <1 min — abbassare il % B, MeOH al posto di ACN
  • ✓ Verifica il tempo di ritenzione atteso nel database dei metodi del plugin
Pressione troppo alta (pressure too high) critical

Sintomo: Pressione della pompa > 80% del massimo della colonna o shutdown del sistema con errore high-pressure

🔍 Albero diagnostico:
  1. 1. Controllare che la colonna sia collegata correttamente (direzione della freccia)
    → SÌ: OK
    → NO: Colonna invertita → invertirla (non lavorare mai "al contrario")
  2. 2. Test: rimuovere la colonna dal sistema, far girare pompa+rivelatore da soli
    → SÌ: La pressione scende a <50 bar → problema nella colonna (intasata)
    → NO: La pressione rimane alta → filtro in-line intasato, frit sporco
  3. 3. Controllare il filtro pre-colonna (frit in-line)
    → SÌ: Sporco e brunastro → sostituire
    → NO: Continue
  4. 4. Retro-lavare la colonna con ACN:H2O 50:50 senza la colonna — scompare?
    → SÌ: Particelle bloccate nel primo mm — un flush di 30 min può recuperarla
    → NO: Sostituire la colonna
⚠️ Cause comuni:
  • Filtro in-line (frit) intasato da particelle
  • Salting-out del buffer (precipitazione ad alto %B)
  • Il campione contiene materiale in sospensione (filtrare a 0.22 µm prima dell'iniezione)
  • Colonna intasata (compattazione del letto della colonna)
  • Gradiente con fase buffer + molto organico → precipitazione del sale
✓ Soluzioni:
  • ✓ Filtrare SEMPRE il campione con PVDF 0.22 µm prima dell'iniezione
  • ✓ Sostituire il filtro in-line ogni 100 iniezioni (o quando la pressione aumenta >20%)
  • ✓ NON usare buffer fosfato >20mM + >70% ACN (il sale precipita)
  • ✓ Lavare la colonna per 30 min con ACN:H2O 50:50 in direzione inversa (quando il produttore lo consente)
  • ✓ Pre-colonna 4×3mm per proteggere la colonna principale
Picchi fantasma (ghost peaks) high

Sintomo: Picchi inspiegabili sul cromatogramma assenti nella calibrazione

🔍 Albero diagnostico:
  1. 1. Test: iniezione in bianco (solvente puro del campione)
    → SÌ: Compare un ghost → contaminazione del sistema o degli eluenti
    → NO: Compare solo con il campione → matrice
  2. 2. Il ghost cresce con il gradiente (eluisce ad alta %B)?
    → SÌ: Sì → colonna sovraccarica o composti fortemente trattenuti dalla corsa precedente
    → NO: Indipendente dal gradiente → carryover dell'autocampionatore
  3. 3. Increase carryover wash (between injections)
    → SÌ: Aiuta → il carryover era la causa. Protocollo di lavaggio più forte.
    → NO: Continue
  4. 4. Iniezione di acqua pura — c'è un picco?
    → SÌ: Sì → contaminazione della fonte d'acqua (sostanze organiche dal sistema DI)
    → NO: Continue
⚠️ Cause comuni:
  • Carryover nell'ago/loop dell'autocampionatore
  • Contaminazione dell'eluente (anche di grado HPLC)
  • Componenti fortemente trattenuti da corse precedenti
  • Plastica nelle fiale (ftalati, PEG dai tappi)
  • Acqua DI insufficientemente purificata
✓ Soluzioni:
  • ✓ Rafforzare il protocollo di lavaggio: 100% B → 100% A → 50:50 (3 cicli)
  • ✓ Lavaggio forte: DMSO 100% o MeOH 100% prima della calibrazione
  • ✓ Filtrare gli eluenti con PTFE 0.22 µm in caso di dubbio
  • ✓ Usare vetro ambrato + tappi con rivestimento in Teflon per i campioni
  • ✓ Rampa di gradiente periodica fino a 100% B per 10 min (clean-out)
📚 Riferimenti scientifici (Chicago Author-Date) — fare clic per espandere
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. Chapter 17 (Troubleshooting) pp. 559-616. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗]
  2. Dolan, John W.. 2014. LC Troubleshooting (monthly column 1989-2024). LCGC North America. [link ↗] — John Dolan 35-letnia seria miesięcznych artykułów problemowych
  3. Kromidas, Stavros. 2017. HPLC Made to Measure: A Practical Handbook for Optimization. 2nd ed. Wiley-VCH. ISBN 978-3-527-31377-1. — Praktyczny przewodnik problem-solving dla labs analitycznych
  4. Dolan, John W.. 2013. When to Modify Method Conditions. 192-199. [link ↗] — Decision flow for changing flow rate / temperature / %B vs swapping columns.
  5. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Chapter 9 covers troubleshooting modern UHPLC systems (sub-2 µm particles).
  6. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — Solid step-by-step problem isolation chapter (eluents, columns, instruments).
  7. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Method-development companion volume with troubleshooting cross-refs.
  8. Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗] — Theoretical basis for diagnosing efficiency losses (mass-transfer, eddy diffusion).
  9. Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. 2120-2129. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — How to diagnose method failures vs. system failures (Plackett-Burman).
  10. Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5. — Historical context for ghost-peak phenomenology (silica chemistry).
🧪 Solubilità e compatibilità con i solventi MolGod_SOLUB_1
Molecola
Benzen
Formula
C6H6
logP (XLogP3)
2.10
Massa (g/mol)
78.11
Polarità
Idrofoba (apolare)

⚠️ Stima HSP (letteratura / group contribution). Dati indicativi — non sostituiscono le prove sperimentali.

Ra < R₀ = dobra mieszalność · Ra < 1,5×R₀ = graniczna · powyżej = słaba (R₀ — promień sfery Hansena tej molekuły) Dla tej molekuły R₀ = 7,5.

Solvente Compat. Ra Visuale GC-MS HPLC Applications Riferimenti
Water (H₂O)1.8 g/L (pomiar)43.7
✗ NieA (aqueous) (RP)
tamponecoltura cellulareanaliticoestrazione (idrofila)
Ethanol (EtOH)− Scarsa20.2
✗ NieA/B modifier (RP/NP)
extractionspettroscopia (UV-Vis)sintesimodificatore HPLC
Methanol (MeOH)− Scarsa24.6
✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent do 205 nm
Acetone− Scarsa12.9
✗ NieB modifier (NP)
GC headspacecristallizzazionesgrassaggiosintesi
Acetonitrile (ACN)− Scarsa19.5
✗ NieB (RP) (RP)
eluente HPLC (gold standard)LC-MS (wolny cut-off UV 190 nm)analisi dei peptidi
DMSO− Scarsa18.3
✗ NieN/A (N/A)
NMR (d6-DMSO)biologia cellulare (crioconservazione)somministrazione di farmacisintesi
THF~ Media8.9
✗ NieB (NP) (NP)
GPC/SEC (analisi dei polimeri)sintesi di Grignardorganometallici
DCM (CH₂Cl₂)~ Media7.5
✓ TakB (NP) (NP)
extractionNP-HPLCGC-MScristallizzazione (anti-solvente)
Chloroform (CHCl₃)+ Buona5.0
✓ TakN/A (toxic) (N/A)
NMR (CDCl3)estrazione dei lipidi (metodo Folch)NP-TLC
Hexane+ Buona7.3
✓ TakA (NP) (NP)
NP-HPLCestrazione di oli (lipidi)GC-MSTLC (NP)
Toluene+ Buona1.6
✓ TakB (NP) (NP)
NMR (d8-toluene)sintesiessiccazione azeotropica Dean-Stark
📚 Riferimenti scientifici per i solventi (Chicago Author-Date) — clicca per espandere

11 solventi · 54 citazioni complete (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — sotto.

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Teoria della solubilità (applicata nella previsione della compatibilità):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — Tripletta HSP (dD, dP, dH) + formula Ra.
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Set tabulare completo di 250+ solventi (ε, μ, donicità, numeri di accettore).
  8. PubChem Compound Database — CAS 71-43-2 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Bibliografia completa nell'accordion RIFERIMENTI (in fondo alla pagina) — Chicago Manual of Style 17th ed., Author-Date.

🧮 Calcolatori da laboratorio (8) MolGod_LABCALC_1
Dilution (C₁V₁=C₂V₂)
Molarità (M=n/V)
Tampone pH (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Massa → Moli
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Formule verificate: IUPAC Gold Book ↗, DOI ↗

📊 Database di spettri spettroscopici MolGod_SPECDB_3
📋 Generatore di protocolli di laboratorio MolGod_PROTOCOL_1

Protocollo generato sulla base di: GHS SDS, Aldrich Lab Guide ↗

🏷️ Generatore di etichette (QR) MolGod_LABEL_1
Benzene• Benzene• CAS: 71-43-2• Formula: C6H6• Massa: 78.11 g/molPERICOLOINDICAZIONI DI PERICOLO GHS:H225 H350 H340 H304 H372 H315 H319P301+P310 P302+P352 P303+P361+P353 P305+P351+P338 P308+P313 P332+P313 P337+P313P370+P378 P314 P331 P280 P501 P403+P235 P405 P201 P202 P210 P233 P240 P260 P264Solo per uso di laboratorio!DH ScientificScience first. Commerce as consequence.N. lotto: Massa netta: Prod.:
Deskryptory Lipinskiego (struktura)

Grafico radar di drug-likeness (Lipinski Ro5 / Veber). Zona verde = conformità ai criteri.

Dati predittivi — proprietà calcolate in silico (SMILES/RDKit). Non sostituiscono gli studi clinici. Non utilizzare per la valutazione di farmaci senza verifica sperimentale.

MW78.1LogP2.1HBD0HBA0RotB0TPSA0 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=78)✗ REOS (MW=78)✓ Lead-like Ro3
ProprietàValoreValutazione
Absorption (GI)alto✓
Permeabilità BBBsì (attraversa)
Biodisponibilità (Daina 2017)
55%
CYP450 profileCYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
Allerte PAINS0✓
Allerte Brenk0✓
pKa (pH 7.4)—
hERG (cardiotox.)✓ no
Substrato P-gp—
Mutagenicità Ames✓ no
DILI (epatotox.)—
LogS (solub. acq.)—
Fonti (metodologia ADMET)
  1. Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
  2. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  3. Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
  4. Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
  5. Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
  6. Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
  7. Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
  8. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
  11. Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
  12. Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
  13. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  14. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  15. Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
  16. Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
  17. Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
  18. Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
  19. Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
  20. Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
  21. Chen, K; Zhu, H; Fu, Q; Rao, X. 2026. "Dominant factors governing benzene adsorption in soils: thermodynamic analysis and predictive modeling." Environmental science. Processes & impacts. https://doi.org/10.1039/d6em00027d.
  22. Dhungel, B; Klopfenstein, M; Keer, A; Hannigan, MD. 2026. "Strain, Chain, Repeat: Synthesis and Optoelectronic Properties of Poly(Naphthalene Benzene Vinylene)s." ACS macro letters. https://doi.org/10.1021/acsmacrolett.6c00194.
  23. Guo, J; Zhong, X; Koutrakis, P; Vieira, CLZ. 2026. "Long-Term Ambient Benzene Exposure and Brain Disorders Among Urban Adults: Effect Modification by Genetic Susceptibility and Potential Mediation by Plasma Proteins." Advanced science (Weinheim, Baden-Wurttemberg, Germany). https://doi.org/10.1002/advs.75874.
  24. Jung, JS; Choi, SJ; Lee, DK; Kim, SW. 2026. "Spatiotemporal variability of benzene in a petrochemical industrial complex: insights from repeated mobile SIFT-MS monitoring and comparison with Me-DOAS." Environmental monitoring and assessment. https://doi.org/10.1007/s10661-026-15488-7.
  25. Zubieta, CE; Aquino-Linarez, LG; Rossi-Fernández, A; Belelli, PG. 2026. "Hydroxylation effects on the DFT-modeled adsorption of benzene and cyclohexane on hematite." Journal of molecular graphics & modelling. https://doi.org/10.1016/j.jmgm.2026.109457.
  26. Wang, H; Gao, M; Li, W; He, Z. 2026. "Direct Alkane-Benzene Coupling Reactions with Bifunctional Zeolite-Encapsulated Metal Catalysts with Subnanoscale Intimacy." Journal of the American Chemical Society. https://doi.org/10.1021/jacs.5c21822.
  27. Nicas, M. 2026. "Benzene exposures during tank washing activities on crude oil tankers." Annals of work exposures and health. https://doi.org/10.1093/annweh/wxag038.
  28. Lai, J; Li, Y; Yin, C; Mao, K. 2026. "Engineering Oxygen Vacancies via Crystal-Phase Modulation in Mn-Ce Oxides for Toluene and Benzene Oxidation." Inorganic chemistry. https://doi.org/10.1021/acs.inorgchem.6c01240.
  29. Demuth, T; Svatunek, D. 2026. "Insights into Tetrazine-Benzene Cycloadditions." The journal of physical chemistry. A. https://doi.org/10.1021/acs.jpca.6c01346.
  30. Elhadad, SM; Ea, S; Saleh, IH; Omar, MY. 2026. "Sustainable indoor air quality via plant-based biofiltration evaluating benzene and toluene removal efficiency and health risk reduction in pharmaceutical laboratories." Scientific reports. https://doi.org/10.1038/s41598-026-54339-w.
  31. Chen, H; Lin, B; Wei, W; Hao, J. 2026. "Mn-MIL-100-Derived CuO/Mn<sub>2</sub>O<sub>3</sub>-Mn<sub>5</sub>O<sub>8</sub> Composite Catalysts for Benzene Oxidation: Synergistic Effect and High Performance." Langmuir : the ACS journal of surfaces and colloids. https://doi.org/10.1021/acs.langmuir.6c00913.
  32. Nishimura, N; Murakami, TN. 2026. "TIPS-benzene-based two-dimensional perovskites." Chemical communications (Cambridge, England). https://doi.org/10.1039/d6cc01157h.
  33. Park, HW; Kim, Y; Lee, SY; Kim, Y. 2026. "Lymphoid neoplasms and benzene exposure using a revised classification scheme: systematic review and meta-analysis." Occupational and environmental medicine. https://doi.org/10.1136/oemed-2025-110652.
  34. Choi, I; Choi, Y; Lee, HS; Jung, HY. 2026. "Hematopoietic carcinogen assessment in bulk chemical products and air samples: focus on benzene exposure among subway maintenance workers." Inhalation toxicology. https://doi.org/10.1080/08958378.2026.2671346.
  35. Zhang, P; Hu, D; Yang, C; Mu, S. 2026. "Superior Benzene Catalytic Oxidation over Co<sub>3</sub>O<sub>4</sub> Catalysts with Oxygen Vacancy-Rich Co Sites." Langmuir : the ACS journal of surfaces and colloids. https://doi.org/10.1021/acs.langmuir.6c00687.
  36. Smith, B; Cadby, P; DiNovi, M; Setzer, RW. 2010. "Application of the Margin of Exposure (MoE) approach to substances in food that are genotoxic and carcinogenic: example: benzene, CAS: 71-43-2." Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2009.10.015.
  37. Anonymous. "Pinning Excited State Self-Trapping with All-Benzene Trefoil Knot.". https://doi.org/10.1021/acs.jpclett.5c00746.s001. [DOI ↗]
  38. Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
  39. Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
  40. Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
  41. Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
  42. Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
  43. Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
  44. Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
  45. Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
  46. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  47. Muzaffer Aksoy. 2017. "Benzene Carcinogenicity." Taylor & Francis Group. ↗
  48. Daniel Lednicer. 1998. "Strategies for organic drug synthesis and design." John Wiley & Sons. ↗
  49. ECHA. 2024. "REACH Guidance." European Chemicals Agency. ↗
  50. Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179. ↗
  51. Anonymous. 1995. "Major Benzene Study Results." Energy Institute. ↗
⏳ Consulente di stabilità & durata di conservazione Arrhenius
Metodologia: Arrhenius equation k = A·exp(-Ea/RT). Citazione: Connors KA et al. 1986 · ICH Q1A(R2)

Inserisci le condizioni di conservazione → l'algoritmo di Arrhenius prevedrà la concentrazione residua, il tempo di dimezzamento e la raccomandazione d'uso.

Segni visivi di degradazione:
❄️ Raccomandazioni di conservazione
Temperature:
15-25°C
Light:
Ambient
Container:
Glass
Incompatible:
Oxidizers, fluorine
🧪 Assistente di preparazione della soluzione (Smart Prep) MolGod_PREP_2

Inserisci cosa vuoi preparare — genererò una SOP

Esempi qui sotto — clicca per inserire:
Ricette predefinite:
📚 Panoramica della letteratura scientifica — CAS 71-43-2MolGod_LITHUB_MAIN
⭐ Risultati principali (letteratura scientifica) 7 publications
🏆 CAS 71-43-2 — multi-criteria ranking (W12): 30% citazioni · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Pauling, L.; Wheland, G.W. (1948) · Journal of Chemical Physics
    Perché è importante: Must-cite (canone) · alto impatto (2100 citazioni) · articolo storico (1948)
    SCORE 12.22 Meccanismo MUST-CITE Citazioni: 2100 DOI ↗
  2. #2
    Benzene — IARC Monograph Vol. 100F (Group 1 carcinogen)
    IARC Working Group (1987) · IARC Monographs
    Perché è importante: Must-cite (canone) · alto impatto (1280 citazioni)
    SCORE 11.57 Farmacologia MUST-CITE Citazioni: 1280
  3. #3
    Snyder, R.; Witz, G.; Goldstein, B.D. (1977) · Environmental Health Perspectives
    Perché è importante: Must-cite (canone) · 820 citations
    SCORE 10.99 Farmacologia MUST-CITE Citazioni: 820 DOI ↗
  4. #4
    McHale, C.M.; Zhang, L.; Smith, M.T. (2010) · Carcinogenesis
    Perché è importante: Must-cite (canone) · 540 citations · rassegna
    SCORE 10.8 Rassegna MUST-CITE Citazioni: 540 DOI ↗
  5. #5
    Loomis, D.; Guyton, K.Z.; Grosse, Y.; El Ghissassi, F.; Bouvard, V. et al. (2017) · The Lancet Oncology
    Perché è importante: Must-cite (canone) · 280 citations · rassegna
    SCORE 9.45 Rassegna MUST-CITE Citazioni: 280 DOI ↗
  6. #6
    Folkins, H.O. (2003) · Ullmann's Encyclopedia of Industrial Chemistry
    Perché è importante: Must-cite (canone) · 420 citations
    SCORE 7.87 Industria MUST-CITE Citazioni: 420 DOI ↗
  7. #7
    Wallace, L.A. (2007) · Environmental Health Perspectives
    Perché è importante: Must-cite (canone) · 340 citations
    SCORE 7.6 Analitica MUST-CITE Citazioni: 340 DOI ↗
📈 Gradiente HPLC — ottimizzatore (LSS) MODELLO

logP sconosciuto — PubChem non ha restituito un valore XLogP. Il gradiente seguente è un modello generico 5–95% MeCN/H2O in 15 min; verificare i parametri prima dell'uso.

⚠ logP non disponibile. PubChem non ha restituito la proprietà XLogP3 per questo CAS. I valori del gradiente riportati di seguito sono un modello generico — non un LSS adattato al composto.
  • Colonna: C18
  • Tampone: phosphate
  • Flusso: 1 mL/min
  • logP: logP non disponibile
  • Ramp: 21% → 95% B, 15 min
  • Tempo totale di analisi: 28 min
t (min) %A %B flow (mL/min) Commento
0 79 21 1 avvio (equilibrio)
2 79 21 1 fine mantenimento iniziale
17 5 95 1 fine rampa LSS
22 5 95 1 lavaggio della colonna
23 79 21 1 ritorno a init
28 79 21 1 riequilibrazione
📚 Riferimenti scientifici (Chicago Author-Date)
  1. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
  4. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
  7. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  8. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.

REST: /wp-json/molgod/v1/hplc/gradient/71-43-2

🌈 Rivelatore + lunghezza d'onda (UV/Vis) 254 nm
CompostoBenzene
λmax254 nm
λmin200 nm
εmax (M⁻¹·cm⁻¹)200
Solvente (riferimento)hexane
λ suggerita254 nm
Rivelatore raccomandatoPDA/DAD
AlternativesUV, MS

Fonte dei dati: Skoog 2017, ch. 14 (B-band)

📚 Riferimenti scientifici (Chicago Author-Date) 26 refs · 1 baz

METODA Bibliografia del metodo

  1. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. "Principles of Instrumental Analysis." 7th ed. Cengage Learning. ISBN 978-1-305-57721-3.
  2. Perkampus, Heinz-Helmut. 1992. "UV-VIS Spectroscopy and Its Applications." Springer. ISBN 978-3-642-77479-9. →
  3. Sadek, Paul C.. 2002. "The HPLC Solvent Guide." 2nd ed. Wiley-Interscience. ISBN 978-0-471-41138-4.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. ISBN 978-0-470-16754-0. →
  5. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. →
  6. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
  7. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 →
  8. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 →
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. ISBN 978-0-471-68162-4. →
  10. Kim, Sunghwan, et al.. 2023. "PubChem 2023 update." Nucleic Acids Research 51: D1373-D1380 →

MOLEKUŁA Bibliografia per-CAS (live da 13+ banche dati)

Fonti: db:europepmc (16)

  1. db:europepmc Chen, K; Zhu, H; Fu, Q; Rao, X. 2026. "Dominant factors governing benzene adsorption in soils: thermodynamic analysis and predictive modeling." Environmental science. Processes & impacts. https://doi.org/10.1039/d6em00027d. →
  2. db:europepmc Dhungel, B; Klopfenstein, M; Keer, A; Hannigan, MD. 2026. "Strain, Chain, Repeat: Synthesis and Optoelectronic Properties of Poly(Naphthalene Benzene Vinylene)s." ACS macro letters. https://doi.org/10.1021/acsmacrolett.6c00194. →
  3. db:europepmc Guo, J; Zhong, X; Koutrakis, P; Vieira, CLZ. 2026. "Long-Term Ambient Benzene Exposure and Brain Disorders Among Urban Adults: Effect Modification by Genetic Susceptibility and Potential Mediation by Plasma Proteins." Advanced science (Weinheim, Baden-Wurttemberg, Germany). https://doi.org/10.1002/advs.75874. →
  4. db:europepmc Jung, JS; Choi, SJ; Lee, DK; Kim, SW. 2026. "Spatiotemporal variability of benzene in a petrochemical industrial complex: insights from repeated mobile SIFT-MS monitoring and comparison with Me-DOAS." Environmental monitoring and assessment. https://doi.org/10.1007/s10661-026-15488-7. →
  5. db:europepmc Zubieta, CE; Aquino-Linarez, LG; Rossi-Fernández, A; Belelli, PG. 2026. "Hydroxylation effects on the DFT-modeled adsorption of benzene and cyclohexane on hematite." Journal of molecular graphics & modelling. https://doi.org/10.1016/j.jmgm.2026.109457. →
  6. db:europepmc Wang, H; Gao, M; Li, W; He, Z. 2026. "Direct Alkane-Benzene Coupling Reactions with Bifunctional Zeolite-Encapsulated Metal Catalysts with Subnanoscale Intimacy." Journal of the American Chemical Society. https://doi.org/10.1021/jacs.5c21822. →
  7. db:europepmc Nicas, M. 2026. "Benzene exposures during tank washing activities on crude oil tankers." Annals of work exposures and health. https://doi.org/10.1093/annweh/wxag038. →
  8. db:europepmc Lai, J; Li, Y; Yin, C; Mao, K. 2026. "Engineering Oxygen Vacancies via Crystal-Phase Modulation in Mn-Ce Oxides for Toluene and Benzene Oxidation." Inorganic chemistry. https://doi.org/10.1021/acs.inorgchem.6c01240. →
  9. db:europepmc Demuth, T; Svatunek, D. 2026. "Insights into Tetrazine-Benzene Cycloadditions." The journal of physical chemistry. A. https://doi.org/10.1021/acs.jpca.6c01346. →
  10. db:europepmc Elhadad, SM; Ea, S; Saleh, IH; Omar, MY. 2026. "Sustainable indoor air quality via plant-based biofiltration evaluating benzene and toluene removal efficiency and health risk reduction in pharmaceutical laboratories." Scientific reports. https://doi.org/10.1038/s41598-026-54339-w. →
  11. db:europepmc Chen, H; Lin, B; Wei, W; Hao, J. 2026. "Mn-MIL-100-Derived CuO/Mn<sub>2</sub>O<sub>3</sub>-Mn<sub>5</sub>O<sub>8</sub> Composite Catalysts for Benzene Oxidation: Synergistic Effect and High Performance." Langmuir : the ACS journal of surfaces and colloids. https://doi.org/10.1021/acs.langmuir.6c00913. →
  12. db:europepmc Nishimura, N; Murakami, TN. 2026. "TIPS-benzene-based two-dimensional perovskites." Chemical communications (Cambridge, England). https://doi.org/10.1039/d6cc01157h. →
  13. db:europepmc Park, HW; Kim, Y; Lee, SY; Kim, Y. 2026. "Lymphoid neoplasms and benzene exposure using a revised classification scheme: systematic review and meta-analysis." Occupational and environmental medicine. https://doi.org/10.1136/oemed-2025-110652. →
  14. db:europepmc Choi, I; Choi, Y; Lee, HS; Jung, HY. 2026. "Hematopoietic carcinogen assessment in bulk chemical products and air samples: focus on benzene exposure among subway maintenance workers." Inhalation toxicology. https://doi.org/10.1080/08958378.2026.2671346. →
  15. db:europepmc Zhang, P; Hu, D; Yang, C; Mu, S. 2026. "Superior Benzene Catalytic Oxidation over Co<sub>3</sub>O<sub>4</sub> Catalysts with Oxygen Vacancy-Rich Co Sites." Langmuir : the ACS journal of surfaces and colloids. https://doi.org/10.1021/acs.langmuir.6c00687. →
  16. db:europepmc Smith, B; Cadby, P; DiNovi, M; Setzer, RW. 2010. "Application of the Margin of Exposure (MoE) approach to substances in food that are genotoxic and carcinogenic: example: benzene, CAS: 71-43-2." Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2009.10.015. →

REST: /wp-json/molgod/v1/hplc/detector/71-43-2

📐 Calcolatore della simmetria del picco HPLC (USP Tf / As)

Calcola il fattore di tailing USP (T) e l'asimmetria (As) dalle semilarghezze del picco. Inserisci a (semilarghezza sinistra) e b (semilarghezza destra) misurate al 5% o 10% dell'altezza del picco.

📚 Riferimenti (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. [link ↗] — Defines USP Tailing Factor T = (a+b)/(2a) measured at 5% peak height.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Tailing factor is a system suitability parameter (Section 6).
  3. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Original asymmetry factor As = b/a at 10% height (Foley & Dorsey 1983).
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2.4 — peak shape diagnostics and remedies.
  5. Dolan, John W.. 2003. "Peak tailing and resolution." LCGC North America 21: 610-614 [link ↗] — How tailing factor degrades effective resolution.
  6. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗] — Modern numerical deconvolution for asymmetric peaks.
  7. Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH. — Practical Tf and As thresholds for routine QC.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." Wiley. https://doi.org/10.1002/9781119313793 [link ↗]
  9. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." Wiley.
  10. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." Journal of Chromatography B 877: 2120-2129 https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗]
📊 Calcolatore di risoluzione e numero di piatti (Rs, N, H)

Calcola la risoluzione Rs, il numero di piatti teorici N e l'HETP (H) per una coppia di picchi HPLC. Inserisci i tempi di ritenzione, le larghezze dei picchi (al 50% o alla base) e la lunghezza della colonna.

📚 Riferimenti (Chicago Author-Date)
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2 covers resolution, plate count and HETP fundamentals (Snyder et al. 2010).
  2. USP General Chapter <621>. 2024. "Chromatography." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines Rs >= 1.5 acceptance criterion and N calculation methods.
  3. Dolan, John W.. 2003. "How much resolution is enough?." LCGC North America 21: 350-353 [link ↗] — Practical guidance on Rs targets for routine method development.
  4. Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289 https://doi.org/10.1016/0009-2509(56)80003-1 [link ↗] — Origin of N = 5.54·(tr/w0.5)² half-height plate count formulation.
  5. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker. ISBN 978-0-8247-1357-7. — Resolution equation Rs = (1/4)·√N·(α-1)/α·k/(1+k) (master equation).
  6. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Skewed-peak corrections to apparent N.
  7. Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364 https://doi.org/10.1093/chromsci/15.9.352 [link ↗]
  8. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗]
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
🧪 System Suitability — calcolatore live (USP <621>)

Inserisci i dati di 5-6 iniezioni (areas, tr, tailing, plates) — il calcolatore calcolerà %RSD, le medie e verificherà la conformità con USP <621>. Puoi incollare un CSV (separato da virgole) o modificare i singoli valori.

📚 Riferimenti (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines RSD area < 2%, tailing < 2.0, N > 2000 acceptance criteria.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Section 5.4 — system suitability is part of method validation.
  3. US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. [link ↗] — CDER reviewer perspective on chromatographic validation expectations.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. — Chapter 2 — system suitability fundamentals (RSD, Tf, N).
  5. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." — Robustness vs. system suitability — design-of-experiments framework.
  6. Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation."
  7. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. [link ↗] — EMA companion guideline with bioanalytical SS criteria.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. — UHPLC-specific suitability adjustments (n=5 vs. n=6).
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience.
  10. AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. [link ↗] — Alternative SS thresholds for food/dietary samples.
📋 Status prawny (REACH / TSCA / UK)MolGod_REG_2
JurysdykcjaListaStatusSunset
EUSVHClisted—
USTSCAactive—
UKUK_SVHClisted—
CADSL_TOXICrestricted—
AUAICSrestricted—
📈 Predittore dello spettro UV-VIS (200-400 nm) λmax 254 nm MolGod_UVVIS_1
0%25%50%75%100%200250300350400254 nmA = ε·c·lA / Aₘₐₓ (%)
CompostoBenzene
λmax254 nm
λmin200 nm
εmax (M⁻¹·cm⁻¹)200
Solvente (query)water
Solvente (riferimento)hexane
Concentration (M)1e-4
Lunghezza del cammino ottico (cm)1
FWHM della curva80 nm

Modello: curva gaussiana centrata su λmax con scalatura secondo Beer-Lambert A = ε · c · l. Trasmittanza T = 10^(-A) · 100%.

📚 Riferimenti scientifici (Chicago Author-Date)
  1. Sunstein, Cass R.. 2023. "It All Started With Benzene.". https://doi.org/10.2139/ssrn.4568007. [DOI]
  2. Anonymous. "Pinning Excited State Self-Trapping with All-Benzene Trefoil Knot.". https://doi.org/10.1021/acs.jpclett.5c00746.s002. [DOI]
  3. Anonymous. "Pinning Excited State Self-Trapping with All-Benzene Trefoil Knot.". https://doi.org/10.1021/acs.jpclett.5c00746.s001. [DOI]
  4. Anonymous. "Synthesis and Structure of [9]Cycloparaphenylene Catenane: An All-Benzene Catenane Consisting of Small Rings.". https://doi.org/10.1021/acs.orglett.9b04599.s002. [DOI]
  5. Anonymous. "Synthesis and Structure of [9]Cycloparaphenylene Catenane: An All-Benzene Catenane Consisting of Small Rings.". https://doi.org/10.1021/acs.orglett.9b04599.s001. [DOI]
  6. Chen, K; Zhu, H; Fu, Q; Rao, X. 2026. "Dominant factors governing benzene adsorption in soils: thermodynamic analysis and predictive modeling." Environmental science. Processes & impacts. https://doi.org/10.1039/d6em00027d. [DOI]
  7. Dhungel, B; Klopfenstein, M; Keer, A; Hannigan, MD. 2026. "Strain, Chain, Repeat: Synthesis and Optoelectronic Properties of Poly(Naphthalene Benzene Vinylene)s." ACS macro letters. https://doi.org/10.1021/acsmacrolett.6c00194. [DOI]
  8. Guo, J; Zhong, X; Koutrakis, P; Vieira, CLZ. 2026. "Long-Term Ambient Benzene Exposure and Brain Disorders Among Urban Adults: Effect Modification by Genetic Susceptibility and Potential Mediation by Plasma Proteins." Advanced science (Weinheim, Baden-Wurttemberg, Germany). https://doi.org/10.1002/advs.75874. [DOI]
  9. Jung, JS; Choi, SJ; Lee, DK; Kim, SW. 2026. "Spatiotemporal variability of benzene in a petrochemical industrial complex: insights from repeated mobile SIFT-MS monitoring and comparison with Me-DOAS." Environmental monitoring and assessment. https://doi.org/10.1007/s10661-026-15488-7. [DOI]
  10. Zubieta, CE; Aquino-Linarez, LG; Rossi-Fernández, A; Belelli, PG. 2026. "Hydroxylation effects on the DFT-modeled adsorption of benzene and cyclohexane on hematite." Journal of molecular graphics & modelling. https://doi.org/10.1016/j.jmgm.2026.109457. [DOI]
  11. Wang, H; Gao, M; Li, W; He, Z. 2026. "Direct Alkane-Benzene Coupling Reactions with Bifunctional Zeolite-Encapsulated Metal Catalysts with Subnanoscale Intimacy." Journal of the American Chemical Society. https://doi.org/10.1021/jacs.5c21822. [DOI]
  12. Nicas, M. 2026. "Benzene exposures during tank washing activities on crude oil tankers." Annals of work exposures and health. https://doi.org/10.1093/annweh/wxag038. [DOI]
  13. Lai, J; Li, Y; Yin, C; Mao, K. 2026. "Engineering Oxygen Vacancies via Crystal-Phase Modulation in Mn-Ce Oxides for Toluene and Benzene Oxidation." Inorganic chemistry. https://doi.org/10.1021/acs.inorgchem.6c01240. [DOI]
  14. Demuth, T; Svatunek, D. 2026. "Insights into Tetrazine-Benzene Cycloadditions." The journal of physical chemistry. A. https://doi.org/10.1021/acs.jpca.6c01346. [DOI]
  15. Elhadad, SM; Ea, S; Saleh, IH; Omar, MY. 2026. "Sustainable indoor air quality via plant-based biofiltration evaluating benzene and toluene removal efficiency and health risk reduction in pharmaceutical laboratories." Scientific reports. https://doi.org/10.1038/s41598-026-54339-w. [DOI]
  16. Chen, H; Lin, B; Wei, W; Hao, J. 2026. "Mn-MIL-100-Derived CuO/Mn<sub>2</sub>O<sub>3</sub>-Mn<sub>5</sub>O<sub>8</sub> Composite Catalysts for Benzene Oxidation: Synergistic Effect and High Performance." Langmuir : the ACS journal of surfaces and colloids. https://doi.org/10.1021/acs.langmuir.6c00913. [DOI]
  17. Nishimura, N; Murakami, TN. 2026. "TIPS-benzene-based two-dimensional perovskites." Chemical communications (Cambridge, England). https://doi.org/10.1039/d6cc01157h. [DOI]
  18. Park, HW; Kim, Y; Lee, SY; Kim, Y. 2026. "Lymphoid neoplasms and benzene exposure using a revised classification scheme: systematic review and meta-analysis." Occupational and environmental medicine. https://doi.org/10.1136/oemed-2025-110652. [DOI]
  19. Choi, I; Choi, Y; Lee, HS; Jung, HY. 2026. "Hematopoietic carcinogen assessment in bulk chemical products and air samples: focus on benzene exposure among subway maintenance workers." Inhalation toxicology. https://doi.org/10.1080/08958378.2026.2671346. [DOI]
  20. Zhang, P; Hu, D; Yang, C; Mu, S. 2026. "Superior Benzene Catalytic Oxidation over Co<sub>3</sub>O<sub>4</sub> Catalysts with Oxygen Vacancy-Rich Co Sites." Langmuir : the ACS journal of surfaces and colloids. https://doi.org/10.1021/acs.langmuir.6c00687. [DOI]
  21. Smith, B; Cadby, P; DiNovi, M; Setzer, RW. 2010. "Application of the Margin of Exposure (MoE) approach to substances in food that are genotoxic and carcinogenic: example: benzene, CAS: 71-43-2." Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2009.10.015. [DOI]
  22. Linstrom, Peter J., and William G. Mallard, eds. 2023. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. [DOI]
  23. Mayerhöfer, Thomas G., Samir Pahlow, and Jürgen Popp. 2020. "The Bouguer-Beer-Lambert Law: Shining Light on the Obscure." ChemPhysChem 21 (18): 2029-2046. [DOI]
  24. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning. ISBN 978-1-305-57721-3.
  25. Lindon, John C., George E. Tranter, and David W. Koppenaal, eds. 2017. "Encyclopedia of Spectroscopy and Spectrometry." 3rd ed. Amsterdam: Academic Press. ISBN 978-0-12-803224-4.
  26. Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. ISBN 978-1-119-96582-6.
  27. Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University.
  28. Lampman, Gary M., Donald L. Pavia, George S. Kriz, and James R. Vyvyan. 2010. "Spectroscopy." 4th ed. Belmont, CA: Cengage Learning. ISBN 978-0-495-88992-9.
  29. Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. ISBN 978-81-224-2032-9.
  30. Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. ISBN 978-0-07-711559-0.
  31. Sadek, Paul C. 2002. The HPLC Solvent Guide. 2nd ed. Hoboken: Wiley. ISBN 978-0-471-41242-2.
  32. Banwell, Colin N., and Elaine M. McCash. 1994. "Fundamentals of Molecular Spectroscopy." 4th ed. London: McGraw-Hill. ISBN 978-0-07-707976-1.
  33. Perkampus, Heinz-Helmut. 1992. UV-VIS Spectroscopy and Its Applications. Berlin: Springer. https://doi.org/10.1007/978-3-642-77479-9.
  34. Fieser, Louis F. 1949. "Extension of Woodward's Rules for Prediction of Conjugated Diene Absorption." Journal of the American Chemical Society 71 (5): 1854-1857. [DOI]
  35. Woodward, Robert B. 1942. "Structure and the Absorption Spectra of Alpha,Beta-Unsaturated Ketones." Journal of the American Chemical Society 64 (1): 72-75. [DOI]
  36. Beer, August. 1852. "Bestimmung der Absorption des rothen Lichts in farbigen Flüssigkeiten." Annalen der Physik und Chemie 86: 78-88. https://doi.org/10.1002/andp.18521620505.
  37. Lambert, Johann Heinrich. 1760. Photometria. Augsburg: Sumptibus Vidae.

📖 Wartość λmax = 254 nm pochodzi z bazy/literatury. Brak niezależnego potwierdzenia krzyżowego (NIST / CrossRef / PubChem) — weryfikacja krzyżowa niedostępna.

REST: /wp-json/molgod/v1/spectra/uv-vis/71-43-2?solvent=water&path_length_cm=1

☣️ Tossicità (LD50 / LC50) GHS Cat 4 — BassaMolGod_LD50_1
LD50
930 mg/kg[1][2]
Gatunek / droga
Rat / doustnie
Klasyfikacja
Slightly toxic[3][4]
Skala GHS (Acute Toxicity, oral, mg/kg bw):
Cat 1 (≤5)
Cat 2 (5–50)
Cat 3 (50–300)
Cat 4 (300–2000)
Cat 5 (2000–5000)

Fonte: RTECS CY1400000; IARC Mono 100F (Group 1); ATSDR Benzene 2007 (2007). CAS 71-43-2.

I dati LD50/LC50 hanno valore puramente indicativo; non sostituiscono la scheda di dati di sicurezza (SDS) né la valutazione di un esperto tossicologo. Classificazione GHS per la via orale (mg/kg bw) secondo UN GHS, 10ª rev. 2023, Annex 1 §3.1.1.

Bibliography (Chicago)
  1. NIOSH. Registry of Toxic Effects of Chemical Substances (RTECS). Cincinnati: NIOSH.
  2. Agency for Toxic Substances and Disease Registry (ATSDR). Medical Management Guidelines / Toxicological Profile. Atlanta, GA: U.S. Department of Health and Human Services.
  3. United Nations. 2023. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS)." 10th rev. ed. New York: UN.
  4. Hodge, Harold C., and James H. Sterner. 1949. "Tabulation of toxicity classes." American Industrial Hygiene Association Quarterly 10 (4): 93-96.
Dalsze źródła (metodyka, nie cytowane bezpośrednio):
  • U.S. EPA. 2024. "ChemView." https://chemview.epa.gov/.
  • Lipnick, Robert L., et al. 1995. "Comparison of the up-and-down, conventional LD50, and fixed-dose acute toxicity procedures." Food and Chemical Toxicology 33 (3): 223-231.
  • ATSDR. 2024. "Toxicological Profiles." Agency for Toxic Substances and Disease Registry. https://www.atsdr.cdc.gov/.
  • Hayes, Wallace, and Claire L. Kruger, eds. 2014. "Hayes' Principles and Methods of Toxicology." 6th ed. CRC Press.
  • Lewis, Richard J. 2012. "Sax's Dangerous Properties of Industrial Materials." 12th ed. Wiley.
  • IARC. 2024. "Monographs on the Evaluation of Carcinogenic Risks to Humans." International Agency for Research on Cancer (per kryteria klasyfikacji rakotwórczości IARC Group 1/2A/2B).
  • Pohanish, Richard P. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." 7th ed. Elsevier.
  • Bingham, Eula, Barbara Cohrssen, and Charles H. Powell, eds. 2012. "Patty's Toxicology." 6th ed. Wiley.
  • WHO. 2023. "Recommended Classification of Pesticides by Hazard." World Health Organization (zgodne z UN GHS Annex 1 §3.1.1).
📤 Incorpora questa molecola sul tuo sito

Hai un blog, un forum o un sito scientifico? Incorpora la molecola 3D interattiva nel tuo sito — la vedrà ogni tuo lettore,e sotto trova un link al nostro negozio dove può acquistare il reagente.

🔗 Codice HTML iframe (il più semplice — funziona ovunque)

Copia e incolla nell'editor HTML del tuo sito:

Adatta width e height al tuo layout.

⚙ WordPress Shortcode (per altri negozi con MOL-GOD)

🌐 Link diretto (per email, chat, LinkedIn, Twitter)

LinkedIn Twitter/X Facebook
QR code CAS 71-43-2

📱 QR code (per la stampa su volantini / etichette / cataloghi)

Inseriscilo nel catalogo prodotti, sull'etichetta del flacone o su un volantino. Il cliente lo scansiona — vede la molecola 3D sul telefono, con un link al tuo negozio.

⬇ Scarica PNG

🖼 Open Graph image (per i meta tag dei social media)

Condividendo il link, Facebook/LinkedIn/Discord recupererà automaticamente l'anteprima dell'immagine:

Preview
📋 Licenza: L'embed mantiene un backlink a DH Scientific (obbligatorio — il negozio è la fonte dei dati). I dati chimici provengono da PubChem (CC0 — pubblico dominio). L'embed è GRATUITO per usi educativi, commerciali e hobbistici.
📚 RIFERIMENTI (Bibliografia complessiva, Chicago Author-Date) 128 elementi

Tutte le fonti scientifiche citate negli accordion sopra per il CAS 71-43-2.Formato: Chicago Manual of Style 17ª ed., sistema Author-Date.

🗄️ Banche dati scientifiche

  1. NIST. n.d. NIST Chemistry WebBook: CAS 71-43-2. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=71-43-2.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 71-43-2. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. PubChem Compound Summary: CAS 71-43-2. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=71-43-2.
  5. U.S. EPA. n.d. CompTox Chemicals Dashboard: CAS 71-43-2. Research Triangle Park, NC: U.S. Environmental Protection Agency. https://comptox.epa.gov/dashboard/chemical/details/DTXSID3039242.

📐 Standard / Linee guida

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Libri

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  3. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 Monographs

  1. IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 71-43-2. Lyon, France: International Agency for Research on Cancer, World Health Organization.

📄 Articoli scientifici (peer-reviewed)

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 Siti web

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
  4. European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
  5. ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
  6. ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
  7. United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
  8. ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
  9. ECHA — Zalacznik VI do CLP (klasyfikacja zharmonizowana, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
  10. U.S. Occupational Safety and Health Administration (2024) — 29 CFR 1910.120 — Hazardous Waste Operations and Emergency Response (HAZWOPER) https://www.osha.gov/hazwoper.
  11. National Fire Protection Association (2018) — NFPA 472: Standard for Competence of Responders to Hazardous Materials/Weapons of Mass Destruction Incidents https://www.nfpa.org/codes-and-standards/nfpa-472.
  12. European Parliament and Council (2012) — Directive 2012/18/EU on the Control of Major-Accident Hazards Involving Dangerous Substances (Seveso III) https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=celex:32012L0018.
  13. U.S. National Institute for Occupational Safety and Health (2024) — NIOSH Pocket Guide to Chemical Hazards https://www.cdc.gov/niosh/npg/.
  14. European Chemicals Agency (2020) — Guidance on the Compilation of Safety Data Sheets (SDS), Version 3.1 https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
  15. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley.
  16. Schoenmakers, Peter J.. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier.
  17. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley.
  18. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. https://doi.org/10.1016/j.chroma.2008.10.005.
  19. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094.
  20. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793.
  21. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026.
  22. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. https://doi.org/10.1021/acs.analchem.6b03506.
  23. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199. https://www.chromatographyonline.com/view/when-modify-method-conditions.
  24. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. Wiley.
  25. Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." https://doi.org/10.1016/0009-2509(56)80003-1.
  26. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker.
  27. Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." https://doi.org/10.1016/S0021-9673(97)00376-2.
  28. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." https://doi.org/10.1002/jssc.200700026.
  29. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." https://doi.org/10.1016/j.chroma.2008.11.094.
  30. Knox, John H.. 1977. "Practical aspects of LC theory." https://doi.org/10.1093/chromsci/15.9.352.
  31. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development." Wiley.
  32. Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
  33. Sadek, Paul C.. 2002. "The HPLC Solvent Guide." Wiley-Interscience.
  34. Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." https://doi.org/10.1093/chromsci/16.6.223.
  35. Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry." Wiley-VCH.
  36. Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." https://doi.org/10.1021/ie980212h.
  37. Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography." Wiley.
  38. Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." https://doi.org/10.1093/chromsci/47.8.645.
  39. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
  40. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. https://database.ich.org/sites/default/files/ICH_Q2-R2_Document_Step4_Guideline_2023_1101.pdf.
  41. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." https://doi.org/10.1021/ac00255a033.
  42. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183.
  43. Dolan, John W.. 2003. "Peak tailing and resolution." https://www.chromatographyonline.com/view/peak-tailing-and-resolution.
  44. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." https://doi.org/10.1021/ac101742z.
  45. Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH.
  46. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." https://doi.org/10.1016/j.jchromb.2008.10.052.
  47. United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
  48. European Pharmacopoeia Commission. 2024. "2.2.46 Chromatographic Separation Techniques." In European Pharmacopoeia, 11th ed. Strasbourg: Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  49. International Council for Harmonisation (ICH). 2022. "ICH Q2(R2): Validation of Analytical Procedures." International Council for Harmonisation. https://database.ich.org/sites/default/files/ICH_Q2%28R2%29_Guideline_2022_1130.pdf.
  50. International Council for Harmonisation (ICH). 1996. "ICH Q3A: Impurities in New Drug Substances." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  51. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
  52. Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
  53. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
  54. Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
  55. EURACHEM/CITAC. 2012. "Quantifying Uncertainty in Analytical Measurement." 3rd ed. EURACHEM/CITAC Guide CG 4. https://www.eurachem.org/images/stories/Guides/pdf/QUAM2012_P1.pdf.
  56. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." John Wiley & Sons. https://doi.org/10.1002/9780470508183.
  57. Dolan, John W.. 2003. "How much resolution is enough?." https://www.chromatographyonline.com/view/how-much-resolution-enough.
  58. USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
  59. US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. https://www.fda.gov/media/74954/download.
  60. Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation." https://doi.org/10.1016/j.chroma.2007.03.111.
  61. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-bioanalytical-method-validation_en.pdf.
  62. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. https://doi.org/10.1002/9780470087954.
  63. AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. https://www.aoac.org/wp-content/uploads/2019/08/app_f.pdf.
  64. International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
  65. Heckert, N. A., and J. J. Filliben. 2003. "NIST/SEMATECH e-Handbook of Statistical Methods." NIST Handbook 151. Gaithersburg, MD: National Institute of Standards and Technology. https://www.itl.nist.gov/div898/handbook/.
  66. Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
  67. Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
  68. Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
  69. Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
  70. International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
  71. Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
  72. United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
  73. International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
  74. International Maritime Organization. 2024. International Maritime Dangerous Goods (IMDG) Code, 2024 Edition (Amendment 42-24). London: IMO. https://www.imo.org/en/OurWork/Safety/Pages/DangerousGoods-default.aspx.
  75. United Nations. 2025. Recommendations on the Transport of Dangerous Goods: Model Regulations (Orange Book). 24th revised ed. ST/SG/AC.10/1/Rev.24. New York and Geneva: United Nations. https://unece.org/transport/dangerous-goods/un-model-regulations.
  76. International Civil Aviation Organization. 2025. Technical Instructions for the Safe Transport of Dangerous Goods by Air (Doc 9284). 2025–2026 ed. Montreal: ICAO. https://www.icao.int/safety/DangerousGoods/Pages/technical-instructions.aspx.
  77. International Conference on Harmonisation (ICH). 2005. "Validation of Analytical Procedures: Text and Methodology Q2(R1)." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q2%28R1%29%20Guideline.pdf.
  78. United States Pharmacopeia (USP) Convention. 2024. "USP General Chapter <621> Chromatography." USP. https://www.usp.org/sites/default/files/usp/document/harmonization/gen-chapter/g05_pf_30_4_2004.pdf.
  79. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA Committee for Medicinal Products for Human Use. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-bioanalytical-method-validation_en.pdf.
  80. European Commission. 2014. "Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC." Official Journal of the European Union. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32014D0955.
  81. Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. "Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów." Dziennik Ustaw RP 2020 poz. 10. https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20200000010.
  82. Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. "Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych." Ministerstwo Klimatu i Środowiska. https://bdo.mos.gov.pl/.
  83. Polska — Sejm RP. 2012. "Ustawa z dnia 14 grudnia 2012 r. o odpadach." Dz.U. 2013 poz. 21 (z późn. zm.). https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20130000021.
  84. Furr, A. Keith, ed.. 2000. "CRC Handbook of Laboratory Safety." CRC Press.
  85. Pohanish, Richard P.. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." Elsevier.
  86. Lewis, Richard J.. 2012. "Sax's Dangerous Properties of Industrial Materials." Wiley.
  87. NIOSH. 2024. "Pocket Guide to Chemical Hazards." U.S. Department of Health and Human Services. https://www.cdc.gov/niosh/npg/.
  88. OSHA. 2024. "Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER)." Occupational Safety and Health Administration. https://www.osha.gov/chemicaldata.
  89. European Parliament and Council. 2008. "Directive 2008/98/EC on waste (Waste Framework Directive)." Official Journal of the European Union L 312/3. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008L0098.
  90. European Parliament and Council. 2009. "Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures." Official Journal of the European Union L 353. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272.
  91. United Nations Economic Commission for Europe (UNECE). 2023. "European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." UNECE. https://unece.org/transport/standards/transport/dangerous-goods/adr-2025.
  92. IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
  93. European Parliament and Council. 2006. "Regulation (EC) No 1013/2006 on Shipments of Waste." Official Journal of the European Union L 190: 1–98. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32006R1013.
  94. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q7%20Guideline.pdf.
  95. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
  96. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
  97. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  98. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  99. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. https://database.ich.org/sites/default/files/Q6A%20Guideline.pdf.
  100. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. https://database.ich.org/sites/default/files/Q10%20Guideline.pdf.
  101. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. https://www.ecfr.gov/current/title-21/chapter-I/subchapter-C/part-211.
  102. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-process-validation-finished-products-information-data-be-provided-regulatory-submissions-revision-1_en.pdf.
  103. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. https://www.uspnf.com/.
  104. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  105. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
  106. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. https://ipecamericas.org/sites/default/files/IPECPQGGMPGuide2017.pdf.
📥 Scarica BibTeX📥 Scarica RISImportazione in Zotero/Mendeley/EndNote/Papers.

Podobne produkty

Inne produkty z tej kategorii