iron — label CAS 7439-89-6

iron

1,99 €

Chemical reagent Zelazo (CAS 7439-89-6). Full encyclopedic card — classification, properties and safety data — below.

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🧬 3D Molecule Visualizer
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3D model Iron, CAS 7439-89-6, molecular formula Fe, molar mass 55.84 g/mol

Data transcribed from regulatory registers and technical literature, with the source and edition stated. It does not replace the supplier's safety data sheet. Fields without a recorded source are marked as such.

Chemical Overview: IronMolGod_OVERVIEW_1
Molecular formulaFe
Molecular weight55.84 g/mol
Density7.87 g/cm³[1]
SMILES[Fe]
InChIKeyXEEYBQQBJWHFJM-UHFFFAOYSA-N

Synonyms: IRON · 7439-89-6 · Iron powder · Iron, elemental · ferrous iron

Data sources: PubChem (NLM/NIH)
Last updated: 2026-08-05

📚 Scientific references (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Density

SCIENTIFIC RESEARCH

[1]Europe PMC2026
Iron Biology in Acute Kidney Injury: Catalytic Iron, Hepcidin-Ferroportin Axis, and NGAL-A Narrative Review.
(2026). "Iron Biology in Acute Kidney Injury: Catalytic Iron, Hepcidin-Ferroportin Axis, and NGAL-A Narrative Review.". https://doi.org/10.3390/ijms27093802
Go to full study ↗
[2]Europe PMC2026
Iron Oxide-Chitosan Macroporous Nanocomposite Hydrogels for Efficient Heterogeneous Electro-Fenton Degradation of Ciprofloxacin.
et al.. (2026). "Iron Oxide-Chitosan Macroporous Nanocomposite Hydrogels for Efficient Heterogeneous Electro-Fenton Degradation of Ciprofloxacin.". https://doi.org/10.3390/gels12050434
Go to full study ↗
[3]Europe PMC2026
Iron-Based Nanoparticles as Delivery Tools.
et al.. (2026). "Iron-Based Nanoparticles as Delivery Tools.". https://doi.org/10.3390/ph19050654
Go to full study ↗
[4]OpenAlex2025
Dietary Heme Iron: A Review of Efficacy, Safety and Tolerability
Douglas Kalman, Susan Hewlings, Alexis Madelyn-Adjei et al.. (2025). "Dietary Heme Iron: A Review of Efficacy, Safety and Tolerability". Nutrients. https://doi.org/10.3390/nu17132132
Go to full study ↗
[5]Europe PMC2025
Gut microbiome restoring biogenic ferritin mineral as an effective oral iron supplement for iron deficiency anemia.
et al.. (2025). "Gut microbiome restoring biogenic ferritin mineral as an effective oral iron supplement for iron deficiency anemia.". https://doi.org/10.1186/s12951-025-03814-z
Go to full study ↗
[6]OpenAlex2023
Ecological engineering of iron ore tailings into useable soils for sustainable rehabilitation
Songlin Wu, Yunjia Liu, Gordon Southam et al.. (2023). "Ecological engineering of iron ore tailings into useable soils for sustainable rehabilitation". iScience. https://doi.org/10.1016/j.isci.2023.10
Go to full study ↗
[7]OpenAlex2022
Arsenic, iron, and manganese in groundwater and its associated human health risk assessment in the rural area of…
Tapos Kumar Chakraborty, Gopal Chandra Ghosh, Prianka Ghosh et al.. (2022). "Arsenic, iron, and manganese in groundwater and its associated human health risk assessment in the rural area of Jashore, B
Go to full study ↗
[8]PubMed2021
Hepcidin-Ferroportin Interaction Controls Systemic Iron Homeostasis.
Nemeth E, Ganz T. (2021). "Hepcidin-Ferroportin Interaction Controls Systemic Iron Homeostasis.". International journal of molecular sciences. https://doi.org/10.3390/ijms22126493
Go to full study ↗
📚 Scientific references (Chicago Author-Date) 19 refs · 6 baz

MOLEKUŁA Per-CAS bibliography (live from 13+ databases)

Sources: db:Europe PMC (5) · db:arxiv (1) · db:openalex (10) · db:pubmed (1) · db:core (1) · db:doaj (1)

  1. db:Europe PMC et al.. (2026). "Sustainable green synthesis of magnetic iron oxide (Fe₃O₄) nanoparticles from date seed powder for efficient dye removal: adsorption equilibrium and thermodynamic study". https://doi.org/10.21203/rs.3.rs-9808445/v1 →
  2. db:Europe PMC (2026). "Iron Biology in Acute Kidney Injury: Catalytic Iron, Hepcidin-Ferroportin Axis, and NGAL-A Narrative Review.". https://doi.org/10.3390/ijms27093802 →
  3. db:Europe PMC et al.. (2026). "Iron Oxide-Chitosan Macroporous Nanocomposite Hydrogels for Efficient Heterogeneous Electro-Fenton Degradation of Ciprofloxacin.". https://doi.org/10.3390/gels12050434 →
  4. db:arxiv Dongfei Wang, Jon Ortuzar, Freek Massee et al.. (2026). "Distinguishing Majorana zero modes from trivial defect states on the surface of the iron-based superconductor Fe(Te,Se)". arXiv (2606.17499v1).
  5. db:Europe PMC et al.. (2026). "Iron-Based Nanoparticles as Delivery Tools.". https://doi.org/10.3390/ph19050654 →
  6. db:openalex Douglas Kalman, Susan Hewlings, Alexis Madelyn-Adjei et al.. (2025). "Dietary Heme Iron: A Review of Efficacy, Safety and Tolerability". Nutrients. https://doi.org/10.3390/nu17132132 →
  7. db:Europe PMC et al.. (2025). "Gut microbiome restoring biogenic ferritin mineral as an effective oral iron supplement for iron deficiency anemia.". https://doi.org/10.1186/s12951-025-03814-z →
  8. db:openalex Songlin Wu, Yunjia Liu, Gordon Southam et al.. (2023). "Ecological engineering of iron ore tailings into useable soils for sustainable rehabilitation". iScience. https://doi.org/10.1016/j.isci.2023.107102 →
  9. db:openalex Tapos Kumar Chakraborty, Gopal Chandra Ghosh, Prianka Ghosh et al.. (2022). "Arsenic, iron, and manganese in groundwater and its associated human health risk assessment in the rural area of Jashore, Bangladesh". Journal of Water and Health. https://doi.org/10.2166/wh.2022.284 →
  10. db:pubmed Nemeth E, Ganz T. (2021). "Hepcidin-Ferroportin Interaction Controls Systemic Iron Homeostasis.". International journal of molecular sciences. https://doi.org/10.3390/ijms22126493 →
  11. db:openalex Gopal Chandra Ghosh, Md. Jahed Hassan Khan, Tapos Kumar Chakraborty et al.. (2020). "Human health risk assessment of elevated and variable iron and manganese intake with arsenic-safe groundwater in Jashore, Bangladesh". Scientific Reports. https://doi.org/10.1038/s41598-020-62187-5 →
  12. db:openalex Yanjiao Gao, Pascale Champagne, D. A. Blair et al.. (2020). "Activated persulfate by iron-based materials used for refractory organics degradation: a review". Water Science & Technology. https://doi.org/10.2166/wst.2020.190 →
  13. db:openalex Young J. Yauger, Sara Bermudez, Kasey E. Moritz et al.. (2019). "Iron accentuated reactive oxygen species release by NADPH oxidase in activated microglia contributes to oxidative stress in vitro". Journal of Neuroinflammation. https://doi.org/10.1186/s12974-019-1430-7 →
  14. db:openalex Jessica L. Billings, Sarah L. Gordon, Tristan Rawling et al.. (2019). "l‐3,4‐dihydroxyphenylalanine (l‐DOPA) modulates brain iron, dopaminergic neurodegeneration and motor dysfunction in iron overload and mutant alpha‐synuclein mouse models of Parkinson's disease". Journal of Neurochemistry. https://doi.org/10.1111/jnc.14676 →
  15. db:openalex Jin Liu, Qingyang Hu, Duck Young Kim et al.. (2017). "Hydrogen-bearing iron peroxide and the origin of ultralow-velocity zones". Nature. https://doi.org/10.1038/nature24461 →
  16. db:core (2012). "Iron 7439-89-6". https://doi.org/10.1002/0471701343.sdp40511 →
  17. db:doaj Iryna Byelinska, Taras Rybalchenko, Volodymyr Kokozay et al.. (2010). "Influence of the mixed-metal Cu/Fe complex [Cu(dmen)2][Fe(CN)5(NO)] (dmen=N,N-dimethylethylenediamine) on serum iron and copper levels in experimental anemia of rats". Current Issues in Pharmacy and Medical Sciences.
  18. db:openalex Lifang Chen, Juncheng Hu, Ryan M. Richards. (2008). "Catalytic Properties of Nanoscale Iron‐Doped Zirconia Solid‐Solution Aerogels". ChemPhysChem. https://doi.org/10.1002/cphc.200800041 →
  19. db:openalex C.H. Corliss, Jack L. Tech. (1976). "Revised lifetimes of energy levels in neutral iron". Journal of Research of the National Bureau of Standards Section A Physics and Chemistry. https://doi.org/10.6028/jres.080a.072 →
📊 Physicochemical properties

Quick Reference

Formula: Fe
MW: 55.84 g/mol
CAS: 7439-89-6
Appearance: Silvery-white or gray, soft, ductile, malleable metal ... In powder form it is black to gray
🔬 Advanced Properties

Chemical Identifiers

SMILES: [Fe]

Last updated: 2026-06-30

Regulatory status of the substance
No entries for this CAS in the restriction lists checked (SVHC candidate list, REACH Annex XVII; datasets incomplete — this is not a confirmation of compliance). CLP classification and transport status (ADR): see the GHS section and the safety data sheet (SDS).
🧮 Stoichiometry CalculatorMolGod_STOICH_1
🔍 External identifiersMolGod_EXTID_1
14 of 16 ID systems88%
DatabaseIdentifierActions
CAS Registry Number7439-89-6Open →
PubChem CID23925[1]Open →
InChIKeyXEEYBQQBJWHFJM-UHFFFAOYSA-N[1]Open →
InChIInChI=1S/Fe[1]
SMILES[Fe][1]
EC Number231-096-4[2]Open →
DrugBankDB01592Open →
KEGG CompoundC00023Open →
HMDBHMDB0015531Open →
ChemSpider22368[3]Open →
CompTox DTXSID (EPA)DTXSID5043710[4]Open →
MeSH UID (NLM)D007501Open →
UNII (FDA)E1UOL152H7Open →
WikiData QIDQ677Open →

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

📚 Scientific references (Chicago Author-Date) (4 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
  4. U.S. EPA. CompTox Chemicals Dashboard — ToxCast/Tox21 high-throughput screening bioactivity summary (testing coverage, not a hazard finding). Washington, DC: U.S. Environmental Protection Agency. ↗ dotyczy: CompTox DTXSID (EPA)
⚛ Atom Visualization — Iron MolGod_ATOMVIZ_1
Fe
Iron
Iron
Z = 26 | Transition metal
Atomic mass
55.845 u
Melting point
1538 °C
Boiling point
2862 °C
Density
7.874 g/cm³
Electronegativity
1.83
Group / Period
8 / 4
26 protons
30 neutronów
K: 2e⁻ L: 8e⁻ M: 14e⁻ N: 2e⁻
[Ar] 3d⁶ 4s²
📡 Spectroscopy — CAS 7439-89-6MolGod_SPECHUB_MAIN
📊 Spectroscopic spectra databases — inline data 8 sources MolGod_SPECDB_2

Spectra are fetched on demand from 9 sources. Each spectrum is stored in our database — the next time it is opened there are zero requests to the external API. Download JCAMP-DX / CSV / PNG for every spectrum without searching.

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
MS (MoNA) MoNA — MassBank of North America
CC-BY 4.0
▶ Click to load spectrum
🔗 Source
— points
📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)
Free for non-commercial

Reference source — no public API. Open in an external database:

🔗 IR/NMR/MS (SDBS) →
📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph Japanese Pharmacopoeia — Monographs
Reference only

Reference source — no public API. Open in an external database:

🔗 JP Monograph →
📚 Japanese Pharmacopoeia 18th Edition (2021)
WHO INN WHO — International Nonproprietary Names
WHO Model Lists (free)

Reference source — no public API. Open in an external database:

🔗 WHO INN →
📚 WHO INN Programme
DOAJ DOAJ — Directory of Open Access Journals
OA journal index (mixed)

Reference source — no public API. Open in an external database:

🔗 DOAJ →
📚 DOAJ — doaj.org

Data is fetched once (JCAMP-DX parser) and stored in the plugin's local database. No duplicate downloads, no NIST queries on subsequent openings. Licences respected (only a deep link plus our own visualisation is published).

🔬 Interactive spectra (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Data retrieved live from multiple sources (priority chain). JCAMP-DX / CSV / PNG available for download under each spectrum.

IR — Fourier-transform infrared

Loading IR — Fourier-transform infrared…

MS — Mass spectrometry (EI 70eV)

Loading MS — Mass spectrometry (EI 70eV)…

📐 Physical & Chemical Properties (DB) 1 fields MolGod Score: Reliable
Property Value Unit Conditions Source
Density (ρ) 7.87 [1] g/cm³ PubChem PUG-View (2026)
📚 Scientific references (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Density (ρ)
🔄 Concentration unit converter LIVE MolGod_UNITCONV_1

Enter the Iron concentration in any unit — the rest will be calculated automatically.

MW: 55.84 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)
ConversionFormulaAccuracySource
% (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)
📚 Bibliography (8 authoritative sources)
  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
🧪 Solution Preparation Wizard WIZARD MolGod_PREP_1
① Select concentration
② Target volume
③ Solvent

Calculations per: IUPAC Gold Book ↗, Merck ↗

🛡️ Safety — CAS 7439-89-6MolGod_SAFEHUB_MAIN
Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Danger
GHS02 — Flammable
GHS02 Flammable
GHS07 — Irritant / harmful
GHS07 Irritant / harmful

🚨 Hazard statements (H)

  • H228 — Flammable solid
  • H319 — Causes serious eye irritation
  • H335 — May cause respiratory irritation

🛡 Precautionary statements (P)

  • P261 — Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 — Wash thoroughly after handling
  • P271 — Use only outdoors or in a well-ventilated area
  • P280 — Wear protective gloves/protective clothing/eye protection/face protection
  • P304+P340 — IF INHALED: Remove person to fresh air and keep comfortable for breathing
  • P305+P351+P338 — IF IN EYES: Rinse cautiously with water for several minutes; Remove contact lenses, if present and easy to do. Continue rinsing
  • P312 — Call a POISON CENTER or doctor/physician if you feel unwell
  • P337+P313 — If eye irritation persists: Get medical advice/attention
  • P403+P233 — Store in a well-ventilated place: Keep container tightly closed
  • P405 — Store locked up
  • P501 — Dispose of contents/container to an approved waste collection point

⚠ Classification based on a consensus of sources (PubChem / supplier notifications) — not verified against the harmonised classification in Annex VI (CLP). The scope of hazards may be broader than the official classification; verify against the supplier's current safety data sheet before use.

Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 7439-89-6 · 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, Regulations
  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

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Separator: comma, space, tab, new line. Minimum 3 measurements.
📐 Statistical formulas
  • x̄ = Σxᵢ / n — arithmetic mean
  • s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
  • s = √s² — standard deviation
  • RSD% = (s / x̄) × 100% — relative standard deviation
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs' test
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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

🧪 Buffer Recipe Calculator UNIQUE
References: pKa values from Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Choose a buffer from the list of 20 popular systems → enter the target pH → get an exact recipe with the masses to weigh out.

Step 1: Choose a buffer system

📜 Recipe history (last 10)
🧪 Solubility and solvent compatibility MolGod_SOLUB_1
Molecule
Iron
Formula
Fe
logP (XLogP3)
—
Mass (g/mol)
55.84
Polarity
—

⚠️ Ionic / inorganic compound — Hansen parameters (δD/δP/δH) do not apply: dissolution is governed by crystal-lattice energy and ion solvation, not molecular cohesion. The HSP block and Hansen sphere are omitted. HSP-dependent columns (Compat./Ra/Visual) are marked "n/a" — base solvent selection on experimental data.

Tabela kompatybilności rozpuszczalników niedostępna dla tej substancji.
Parametry Hansena są poza zakresem metody, więc odległości Ra nie da się policzyć, a w bazie nie ma pomiaru rozpuszczalności, którym można by je zastąpić. Zamiast jedenastu ocen bez podstawy nie pokazujemy żadnej. Dobór rozpuszczalnika oprzyj na karcie charakterystyki i danych eksperymentalnych.
📚 Scientific references for solvents (Chicago Author-Date) — click to expand

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

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
Solubility theory (applied in compatibility prediction):
  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 — HSP triplet (dD, dP, dH) + Ra formula.
  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 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 7439-89-6 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

🧮 Laboratory calculators (8) MolGod_LABCALC_1
Dilution (C₁V₁=C₂V₂)
Molarity (M=n/V)
pH Buffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Mass → Moles
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases MolGod_SPECDB_3
📋 Laboratory protocol generator MolGod_PROTOCOL_1

Protocol generated based on: GHS SDS, Aldrich Lab Guide ↗

🏷️ Label generator (QR) MolGod_LABEL_1
Iron• IRON• CAS: 7439-89-6• Formula: Fe• Mass: 55.84 g/molDANGERGHS HAZARD STATEMENTS:(supplier self-classification — non-binding)H228: Flammable solidH319: Causes serious eye irritationH335: May cause respiratory irritationDH ScientificScience first. Commerce as consequence.Batch No.: Netto Mass: MFG:
🧪 Solution preparation assistant (Smart Prep) MolGod_PREP_2

Enter what you want to prepare — I'll generate an SOP

Examples below — click to insert:
Preset recipes:
📚 Scientific literature overview — CAS 7439-89-6MolGod_LITHUB_MAIN
⭐ Key findings (scientific literature) 19 publications
🏆 CAS 7439-89-6 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Gopal Chandra Ghosh, Md. Jahed Hassan Khan, Tapos Kumar Chakraborty et al. (2020) · Scientific Reports
    Why it matters: 209 citations · open access
    SCORE 12.22 Mechanism Citations: 209 Open Access DOI ↗
  2. #2
    Young J. Yauger, Sara Bermudez, Kasey E. Moritz et al. (2019) · Journal of Neuroinflammation
    Why it matters: 124 citations · open access
    SCORE 11.24 Mechanism Citations: 124 Open Access DOI ↗
  3. #3
    Tapos Kumar Chakraborty, Gopal Chandra Ghosh, Prianka Ghosh et al. (2022) · Journal of Water and Health
    Why it matters: Open access
    SCORE 11.09 Mechanism Citations: 55 Open Access DOI ↗
  4. #4
    Jin Liu, Qingyang Hu, Duck Young Kim et al. (2017) · Nature
    Why it matters: 160 citations · open access
    SCORE 10.97 Mechanism Citations: 160 Open Access DOI ↗
  5. #5
    Songlin Wu, Yunjia Liu, Gordon Southam et al. (2023) · iScience
    Why it matters: Recent (2023) · open access
    SCORE 10.89 Mechanism Citations: 37 Open Access DOI ↗
  6. #6
    Yanjiao Gao, Pascale Champagne, D. A. Blair et al. (2020) · Water Science & Technology
    Why it matters: Review · open access
    SCORE 10.54 Review Citations: 57 Open Access DOI ↗
  7. #7
    Douglas Kalman, Susan Hewlings, Alexis Madelyn-Adjei et al. (2025) · Nutrients
    Why it matters: Recent (2025) · review · open access
    SCORE 10.39 Review Citations: 23 Open Access DOI ↗
  8. #8
    Jessica L. Billings, Sarah L. Gordon, Tristan Rawling et al. (2019) · Journal of Neurochemistry
    Why it matters: Open access
    SCORE 9.69 Mechanism Citations: 37 Open Access DOI ↗
  9. #9
    Lifang Chen, Juncheng Hu, Ryan M. Richards (2008) · ChemPhysChem
    Why it matters: Open access
    SCORE 7.24 Mechanism Citations: 45 Open Access DOI ↗
  10. #10
    et al. (2025) · Journal of Nanobiotechnology
    Why it matters: Recent (2025) · open access
    SCORE 7.15 Mechanism Citations: 1 Open Access DOI ↗ PubMed ↗
  11. #11
    et al. (2026) · Pharmaceuticals
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Pharmacology Open Access DOI ↗ PubMed ↗
  12. #12
    et al. (2026)
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗
  13. #13
    C.H. Corliss, Jack L. Tech (1976) · Journal of Research of the National Bureau of Standards Section A Physics and Chemistry
    Why it matters: Open access
    SCORE 6.54 Mechanism Citations: 26 Open Access DOI ↗
  14. #14
    Chandrashekar Annamalai; Pragasam Viswanathan (2026) · International Journal of Molecular Sciences
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  15. #15
    Dongfei Wang, Jon Ortuzar, Freek Massee et al. (2026) · arXiv (2606.17499v1)
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access
  16. #16
    Nemeth E, Ganz T (2021) · International journal of molecular sciences
    Why it matters: Review · open access
    SCORE 5.55 Review Open Access DOI ↗ PubMed ↗
  17. #17
    Bell SG (2026) · Neonatal network : NN
    Why it matters: Must-cite (canon) · recent (2026) · review
    SCORE 4 Review MUST-CITE DOI ↗
  18. #18
    Iryna Byelinska, Taras Rybalchenko, Volodymyr Kokozay et al. (2010) · Current Issues in Pharmacy and Medical Sciences
    Why it matters: Open access
    SCORE 2.25 Mechanism Open Access
  19. #19
    (2012) · Sax's Dangerous Properties of Industrial Materials
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0.6 Mechanism DOI ↗
📈 HPLC gradient — optimizer (LSS) TEMPLATE

logP unknown — PubChem did not return an XLogP value. The gradient below is a generic 5–95% MeCN/H2O template over 15 min; verify parameters before use.

⚠ logP unavailable. PubChem did not return an XLogP3 value for this CAS number. The gradient values below are a generic template — not an LSS fit for this compound.
  • Column: C18
  • Buffer: phosphate
  • Flow: 1 mL/min
  • logP: logP unavailable
  • Ramp: 21% → 95% B, 15 min
  • Total analysis time: 28 min
t (min) %A %B flow (mL/min) Comment
0 79 21 1 start (equilibrium)
2 79 21 1 end of initial hold
17 5 95 1 end of LSS ramp
22 5 95 1 column wash
23 79 21 1 return to init
28 79 21 1 re-equilibration
📚 Scientific references (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/7439-89-6

📐 HPLC peak symmetry calculator (USP Tf / As)

Calculate the USP tailing factor (Tf) and asymmetry (As) from the peak half-widths. Enter a (left half-width) and b (right half-width) measured at 5% or 10% of peak height.

📚 References (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 ↗]
📊 Resolution and plate count calculator (Rs, N, H)

Calculate the resolution Rs, the number of theoretical plates N and HETP (H) for a pair of HPLC peaks. Enter the retention times, peak widths (at 50% or at the base) and the column length.

📚 References (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 — live calculator (USP <621>)

Enter data from 5–6 injections (areas, tR, tailing, plates) — the calculator computes %RSD and means and checks compliance with USP <621>. You can paste CSV (comma-separated) or edit individual values.

📚 References (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.
⚠️ Interakcje lekowe (2)MolGod_DRUGINT_1

Znane interakcje farmakokinetyczne i farmakodynamiczne dla CAS 7439-89-6 wg konsensusowych źródeł klinicznych. Niniejsze informacje są edukacyjne — nie zastępują konsultacji lekarskiej.

Skala evidence (Hansten & Horn)
A — randomized controlled trials · B — non-randomized clinical / PK studies · C — case reports · D — theoretical/mechanism-based
  • Doksycyklina
    Umiarkowane
    CAS partnera: 564-25-0 · DrugBank DB00254 · PubChem 54671203

    Mechanizm: Doksycyklina chelatuje Fe2+ → spadek wchłaniania obu leków o 50–80 %.

    Skutek kliniczny: Spadek stężenia doksycykliny i suplementu Fe.

    Postępowanie: Odstęp co najmniej 2–3 h między doksycykliną a żelazem.

    Źródło: Stockley 2021; Lexicomp 2024
  • Lewotyroksyna
    UmiarkowaneEL: B
    CAS partnera: 51-48-9 · DrugBank DB00451 · PubChem 5819

    Mechanizm: Żelazo tworzy chelat z lewotyroksyną w jelitach → spadek wchłaniania o 30–60 %.

    Skutek kliniczny: Niedostateczna substytucja → wzrost TSH, objawy hipotyreozy.

    Postępowanie: Lewotyroksynę przyjmować rano na czczo; żelazo ≥ 4 h później. TSH po 6 tyg. od włączenia Fe.

    Źródło: Stockley 2021; ATA 2024
Bibliography (Chicago)
  • Hansten, Philip D., and John R. Horn. 2024. "The Top 100 Drug Interactions: A Guide to Patient Management." H&H Publications.
  • Stockley, Ivan H., ed. 2021. "Stockley's Drug Interactions." 12th ed. Pharmaceutical Press.
  • Indiana University. 2024. "P450 Drug Interaction Table." https://drug-interactions.medicine.iu.edu/.
  • Lexicomp. 2024. "Lexicomp Drug Interactions Database." Wolters Kluwer.
  • U.S. FDA. 2023. "Drug Development and Drug Interactions Table of Substrates, Inhibitors and Inducers." https://www.fda.gov/drugs/drug-interactions-labeling/drug-development-and-drug-interactions-table-substrates-inhibitors-and-inducers.
  • Goldfrank, Lewis R., et al. 2019. "Goldfrank's Toxicologic Emergencies." 11th ed. McGraw-Hill (rozdz. Drug Interactions — synergie + antagonizmy w zatruciach mieszanych).
  • Olson, Kent R., et al. 2018. "Poisoning & Drug Overdose." 7th ed. McGraw-Hill (kliniczne management interakcji w przedawkowaniu).
  • Dollery, Colin, ed. 1999. "Therapeutic Drugs." 2nd ed. Churchill Livingstone (monografia źródłowa o interakcjach lek-lek na poziomie farmakokinetyki).
  • Rosenstock, Linda, et al. 2005. "Textbook of Clinical Occupational and Environmental Medicine." 2nd ed. Elsevier Saunders (occupational + drug exposure interakcje).
  • Lippmann, Morton. 2009. "Environmental Toxicants: Human Exposures and Their Health Effects." 3rd ed. Wiley (modulacja CYP3A4/CYP2D6 przez ekspozycje środowiskowe).
  • Hayes, Wallace, and Claire L. Kruger, eds. 2014. "Hayes' Principles and Methods of Toxicology." 6th ed. CRC Press (in vitro screening DDI: rola P-gp, BCRP).
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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 126 items

All scientific sources cited in the accordions above for CAS 7439-89-6. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

  1. PubChem. n.d. PubChem Compound Summary: CAS 7439-89-6. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine.
  2. NIST. n.d. NIST Chemistry WebBook: CAS 7439-89-6. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=7439-89-6.
  3. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 7439-89-6. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  4. 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.
  5. U.S. EPA. n.d. CompTox Chemicals Dashboard: CAS 7439-89-6. Research Triangle Park, NC: U.S. Environmental Protection Agency. https://comptox.epa.gov/dashboard/chemical/details/DTXSID5043710.

📐 Standards / Guidelines

  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.
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📖 Books

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