Eisen — Etikett CAS 7439-89-6

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Chemisches Reagenz Zelazo (CAS 7439-89-6). Vollständige enzyklopädische Karte — Klassifizierung, Eigenschaften und Sicherheitsdaten — unten.

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3D-Modell Iron, CAS 7439-89-6, Summenformel Fe, molare Masse 55.84 g/mol

Daten transkribiert aus regulatorischen Registern und Fachliteratur, unter Angabe von Quelle und Ausgabe. Sie ersetzen nicht das Sicherheitsdatenblatt des Lieferanten. Felder ohne hinterlegte Quelle sind als solche gekennzeichnet.

Chemische Übersicht: IronMolGod_OVERVIEW_1
SummenformelFe
Molekulargewicht55.84 g/mol
Dichte7.87 g/cm³[1]
SMILES[Fe]
InChIKeyXEEYBQQBJWHFJM-UHFFFAOYSA-N

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

Datenquellen: PubChem (NLM/NIH)
Zuletzt aktualisiert: 2026-08-05

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (1 Quellen)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Dichte

WISSENSCHAFTLICHE FORSCHUNG

[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
Zur vollständigen Studie ↗
[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
Zur vollständigen Studie ↗
[3]Europe PMC2026
Iron-Based Nanoparticles as Delivery Tools.
et al.. (2026). "Iron-Based Nanoparticles as Delivery Tools.". https://doi.org/10.3390/ph19050654
Zur vollständigen Studie ↗
[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
Zur vollständigen Studie ↗
[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
Zur vollständigen Studie ↗
[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
Zur vollständigen Studie ↗
[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
Zur vollständigen Studie ↗
[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
Zur vollständigen Studie ↗
📚 Wissenschaftliche Referenzen (Chicago Author-Date) 19 refs · 6 baz

MOLEKUŁA Bibliografie pro CAS (live aus 13+ Datenbanken)

Quellen: 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 →
📊 Physikochemische Eigenschaften

Kurzübersicht

Formel: Fe
MW: 55.84 g/mol
CAS: 7439-89-6
Aussehen: Silberweißes oder graues, weiches, duktiles, verformbares Metall ... In Pulverform ist es schwarz bis grau
🔬 Erweiterte Eigenschaften

Chemische Kennungen

SMILES: [Fe]

Zuletzt aktualisiert: 2026-06-30

Regulatorischer Status der Substanz
Keine Einträge für diese CAS-Nummer in den geprüften Beschränkungslisten (SVHC-Kandidatenliste, REACH Anhang XVII; Datensätze unvollständig – dies ist keine Konformitätsbestätigung). CLP-Einstufung und Transportstatus (ADR): siehe Abschnitt GHS und Sicherheitsdatenblatt (SDS).
🧮 Stöchiometrie-RechnerMolGod_STOICH_1
🔍 Externe IdentifikatorenMolGod_EXTID_1
14 von 16 ID-Systemen88%
DatenbankIdentifikatorAktionen
CAS Registry Number7439-89-6Öffnen →
PubChem CID23925[1]Öffnen →
InChIKeyXEEYBQQBJWHFJM-UHFFFAOYSA-N[1]Öffnen →
InChIInChI=1S/Fe[1]
SMILES[Fe][1]
EC Number231-096-4[2]Öffnen →
DrugBankDB01592Öffnen →
KEGG CompoundC00023Öffnen →
HMDBHMDB0015531Öffnen →
ChemSpider22368[3]Öffnen →
CompTox DTXSID (EPA)DTXSID5043710[4]Öffnen →
MeSH UID (NLM)D007501Öffnen →
UNII (FDA)E1UOL152H7Öffnen →
WikiData QIDQ677Öffnen →

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

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (4 Quellen)
  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)
⚛ Atomvisualisierung — Eisen MolGod_ATOMVIZ_1
Fe
Eisen
Iron
Z = 26 | Übergangsmetall
Atommasse
55.845 u
Schmelzpunkt
1538 °C
Siedepunkt
2862 °C
Dichte
7.874 g/cm³
Elektronegativität
1.83
Gruppe / Periode
8 / 4
26 Protonen
30 neutronów
K: 2e⁻ L: 8e⁻ M: 14e⁻ N: 2e⁻
[Ar] 3d⁶ 4s²
📡 Spektroskopie — CAS 7439-89-6MolGod_SPECHUB_MAIN
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📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
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IR — Fourier-Transform-Infrarot

IR — Fourier-Transform-Infrarot wird geladen…

MS — Massenspektrometrie (EI 70eV)

MS — Massenspektrometrie (EI 70eV) wird geladen…

📐 Physikalisch-chemische Eigenschaften (DB) 1 Felder MolGod-Score: Zuverlässig
Eigenschaft Wert Einheit Bedingungen Quelle
Dichte (ρ) 7.87 [1] g/cm³ PubChem PUG-View (2026)
📚 Wissenschaftliche Referenzen (Chicago Author-Date) (1 Quellen)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Dichte (ρ)
🔄 Umrechner für Konzentrationseinheiten LIVE MolGod_UNITCONV_1

Geben Sie die Konzentration Iron in einer beliebigen Einheit ein — der Rest wird automatisch berechnet.

MW: 55.84 g/mol · IUPAC Gold Book ↗

⚗️ Umrechnungsformeln + Zitate (pro Formel)
UmrechnungFormelGenauigkeitQuelle
% (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)
📚 Bibliographie (8 autoritative Quellen)
  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
🧪 Assistent zur Lösungsvorbereitung WIZARD MolGod_PREP_1
① Konzentration auswählen
② Zielvolumen
③ Lösungsmittel

Berechnungen nach: IUPAC Gold Book ↗, Merck ↗

🛡️ Sicherheit — CAS 7439-89-6MolGod_SAFEHUB_MAIN
Hinweis zu Datenbeschränkungen. Die Sicherheitsinformationen auf dieser Seite dienen nur zur Information und ersetzen kein vollständiges Sicherheitsdatenblatt (SDS). Konsultieren Sie vor der Verwendung des Produkts das aktuelle Sicherheitsdatenblatt des Herstellers sowie die GHS/CLP-Leitlinien. Die CLP-Einstufung bezieht sich auf die reine Bulk-Substanz, nicht auf handelsübliche Zubereitungen.

GHS/CLP-Einstufung — Verordnung (EG) Nr. 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Gefahr (Danger)
GHS02 — Entzündbar
GHS02 Entzündbar
GHS07 — Reizend / gesundheitsschädlich
GHS07 Reizend / gesundheitsschädlich

🚨 Gefahrenhinweise (H)

  • H228 — Entzündbarer Feststoff.
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  • H335 — Kann die Atemwege reizen.

🛡 Sicherheitshinweise (P)

  • P261 — Einatmen von Staub/Rauch/Gas/Nebel/Dampf/Aerosol vermeiden.
  • P264 — Nach Gebrauch gründlich waschen.
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  • P312 — Bei Unwohlsein GIFTINFORMATIONSZENTRUM/Arzt/… anrufen.
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  • P405 — Unter Verschluss aufbewahren.
  • P501 — Inhalt/Behälter … zuführen.

⚠ Einstufung basierend auf einem Konsens der Quellen (PubChem / Meldungen der Lieferanten) — nicht gegen die harmonisierte Einstufung in Anhang VI (CLP) verifiziert. Der Gefahrenumfang kann breiter sein als die amtliche Einstufung; vor der Verwendung mit dem aktuellen Sicherheitsdatenblatt des Lieferanten verifizieren.

Übersetzungen: CLP-Verordnung (EG) 1272/2008, Anhang III und IV. Daten: PubChem/NLM.

📚 Konsolidierte wissenschaftliche Referenzen — Chicago Author-Date 10 Quellen

Referenzen aus allen Safety-Hub-Registerkarten gesammelt. 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, Vorschriften
  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

Registerkarten mit eigenen Referenzen (Emergency, PPE, Storage, Waste) enthalten zusätzliche bibliografische Einträge in ihren jeweiligen Abschnitten.

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  • x̄ = Σxᵢ / n — arithmetisches Mittel
  • s² = Σ(xᵢ - x̄)² / (n-1) — Stichprobenvarianz
  • s = √s² — Standardabweichung
  • RSD% = (s / x̄) × 100% — relative Standardabweichung
  • 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

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

🧪 Puffer-Rezept-Rechner EINZIGARTIG
Literatur: pKa-Werte aus Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Wählen Sie einen Puffer aus der Liste von 20 gängigen Systemen → geben Sie den Ziel-pH-Wert ein → Sie erhalten ein exaktes Rezept mit den einzuwiegenden Massen.

Schritt 1: Puffersystem wählen

📜 Rezeptverlauf (letzte 10)
🧪 Löslichkeit und Lösungsmittelkompatibilität MolGod_SOLUB_1
Molekül
Iron
Formel
Fe
logP (XLogP3)
—
Masse (g/mol)
55.84
Polarität
—

⚠️ Ionische / anorganische Verbindung — die Hansen-Parameter (δD/δP/δH) sind nicht anwendbar: Das Auflösen wird durch die Kristallgitterenergie und die Ionensolvatation gesteuert, nicht durch molekulare Kohäsion. Der HSP-Block und die Hansen-Kugel entfallen. HSP-abhängige Spalten (Kompat./Ra/Visuell) sind mit „n/v“ gekennzeichnet — stützen Sie die Lösungsmittelauswahl auf experimentelle Daten.

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.
📚 Wissenschaftliche Referenzen für Lösungsmittel (Chicago Author-Date) — zum Aufklappen klicken

11 Lösungsmittel · 54 vollständige Zitate (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — unten.

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
Löslichkeitstheorie (angewendet in der Verträglichkeitsvorhersage):
  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-Triplett (dD, dP, dH) + Ra-Formel.
  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 — Vollständige tabellarische Sammlung von 250+ Lösungsmitteln (ε, μ, Donizität, Akzeptorzahlen).
  8. PubChem Compound Database — CAS 7439-89-6 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Vollständige Bibliografie im Akkordeon REFERENZEN (am Ende der Seite) — Chicago Manual of Style 17th ed., Author-Date.

🧮 Laborrechner (8) MolGod_LABCALC_1
Verdünnung (C₁V₁=C₂V₂)
Molarität (M=n/V)
pH-Puffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Masse → Mol
Konzentration % → M
ppm → mg/L
Temperatur C↔F↔K

Verifizierte Formeln: IUPAC Gold Book ↗, DOI ↗

📊 Spektroskopische Spektrendatenbanken MolGod_SPECDB_3
📋 Laborprotokoll-Generator MolGod_PROTOCOL_1

Protokoll erstellt auf Grundlage von: GHS SDS, Aldrich Lab Guide ↗

🏷️ Etiketten-Generator (QR) MolGod_LABEL_1
Eisen• IRON• CAS: 7439-89-6• Formel: Fe• Masse: 55.84 g/molGEFAHRGHS-GEFAHRENHINWEISE:(Selbsteinstufung der Lieferanten — unverbindlich)H228: Entzündbarer Feststoff.H319: Verursacht schwere Augenreizung.H335: Kann die Atemwege reizen.DH ScientificScience first. Commerce as consequence.Charge-Nr.: Nettomasse: Herst.:
Deskryptory Lipinskiego (struktura)
ADMET-Vorhersagen werden geladen…
🧪 Assistent zur Lösungsherstellung (Smart Prep) MolGod_PREP_2

Geben Sie ein, was Sie zubereiten möchten — ich erstelle eine SOP

Beispiele unten — zum Einfügen anklicken:
Fertige Rezepte:
📚 Überblick über die wissenschaftliche Literatur — CAS 7439-89-6MolGod_LITHUB_MAIN
⭐ Wichtigste Erkenntnisse (wissenschaftliche Literatur) 19 Publikationen
🏆 CAS 7439-89-6 — multi-criteria ranking (W12): 30% Zitierungen · 20% Aktualität · 20% Thema · 15% historisch · 15% Open Access.
  1. #1
    Gopal Chandra Ghosh, Md. Jahed Hassan Khan, Tapos Kumar Chakraborty et al. (2020) · Scientific Reports
    Warum es wichtig ist: 209 Zitierungen · open access
    SCORE 12.22 Mechanismus Zitierungen: 209 Open Access DOI ↗
  2. #2
    Young J. Yauger, Sara Bermudez, Kasey E. Moritz et al. (2019) · Journal of Neuroinflammation
    Warum es wichtig ist: 124 Zitierungen · open access
    SCORE 11.24 Mechanismus Zitierungen: 124 Open Access DOI ↗
  3. #3
    Tapos Kumar Chakraborty, Gopal Chandra Ghosh, Prianka Ghosh et al. (2022) · Journal of Water and Health
    Warum es wichtig ist: Open access
    SCORE 11.09 Mechanismus Zitierungen: 55 Open Access DOI ↗
  4. #4
    Jin Liu, Qingyang Hu, Duck Young Kim et al. (2017) · Nature
    Warum es wichtig ist: 160 Zitierungen · open access
    SCORE 10.97 Mechanismus Zitierungen: 160 Open Access DOI ↗
  5. #5
    Songlin Wu, Yunjia Liu, Gordon Southam et al. (2023) · iScience
    Warum es wichtig ist: Aktuell (2023) · open access
    SCORE 10.89 Mechanismus Zitierungen: 37 Open Access DOI ↗
  6. #6
    Yanjiao Gao, Pascale Champagne, D. A. Blair et al. (2020) · Water Science & Technology
    Warum es wichtig ist: Übersichtsarbeit · open access
    SCORE 10.54 Übersicht Zitierungen: 57 Open Access DOI ↗
  7. #7
    Douglas Kalman, Susan Hewlings, Alexis Madelyn-Adjei et al. (2025) · Nutrients
    Warum es wichtig ist: Aktuell (2025) · Übersichtsarbeit · open access
    SCORE 10.39 Übersicht Zitierungen: 23 Open Access DOI ↗
  8. #8
    Jessica L. Billings, Sarah L. Gordon, Tristan Rawling et al. (2019) · Journal of Neurochemistry
    Warum es wichtig ist: Open access
    SCORE 9.69 Mechanismus Zitierungen: 37 Open Access DOI ↗
  9. #9
    Lifang Chen, Juncheng Hu, Ryan M. Richards (2008) · ChemPhysChem
    Warum es wichtig ist: Open access
    SCORE 7.24 Mechanismus Zitierungen: 45 Open Access DOI ↗
  10. #10
    et al. (2025) · Journal of Nanobiotechnology
    Warum es wichtig ist: Aktuell (2025) · open access
    SCORE 7.15 Mechanismus Zitierungen: 1 Open Access DOI ↗ PubMed ↗
  11. #11
    et al. (2026) · Pharmaceuticals
    Warum es wichtig ist: Aktuell (2026) · open access
    SCORE 7.05 Pharmakologie Open Access DOI ↗ PubMed ↗
  12. #12
    et al. (2026)
    Warum es wichtig ist: Aktuell (2026) · open access
    SCORE 7.05 Mechanismus 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
    Warum es wichtig ist: Open access
    SCORE 6.54 Mechanismus Zitierungen: 26 Open Access DOI ↗
  14. #14
    Chandrashekar Annamalai; Pragasam Viswanathan (2026) · International Journal of Molecular Sciences
    Warum es wichtig ist: Aktuell (2026) · open access
    SCORE 6.25 Mechanismus Open Access DOI ↗ PubMed ↗
  15. #15
    Dongfei Wang, Jon Ortuzar, Freek Massee et al. (2026) · arXiv (2606.17499v1)
    Warum es wichtig ist: Aktuell (2026) · open access
    SCORE 6.25 Mechanismus Open Access
  16. #16
    Nemeth E, Ganz T (2021) · International journal of molecular sciences
    Warum es wichtig ist: Übersichtsarbeit · open access
    SCORE 5.55 Übersicht Open Access DOI ↗ PubMed ↗
  17. #17
    Bell SG (2026) · Neonatal network : NN
    Warum es wichtig ist: Pflichtzitat (Kanon) · aktuell (2026) · Übersichtsarbeit
    SCORE 4 Übersicht MUST-CITE DOI ↗
  18. #18
    Iryna Byelinska, Taras Rybalchenko, Volodymyr Kokozay et al. (2010) · Current Issues in Pharmacy and Medical Sciences
    Warum es wichtig ist: Open access
    SCORE 2.25 Mechanismus Open Access
  19. #19
    (2012) · Sax's Dangerous Properties of Industrial Materials
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 0.6 Mechanismus DOI ↗
📈 HPLC-Gradient — Optimierer (LSS) VORLAGE

logP unbekannt — PubChem hat keinen XLogP-Wert geliefert. Der folgende Gradient ist eine allgemeine Vorlage 5–95% MeCN/H2O in 15 min; überprüfen Sie die Parameter vor der Verwendung.

⚠ logP nicht verfügbar. PubChem hat keine XLogP3-Eigenschaft für diese CAS-Nummer geliefert. Die untenstehenden Gradientenwerte sind eine allgemeine Vorlage — keine an die Verbindung angepasste LSS-Anpassung.
  • Säule: C18
  • Puffer: phosphate
  • Fluss: 1 mL/min
  • logP: logP nicht verfügbar
  • Rampe: 21% → 95% B, 15 min
  • Gesamtanalysenzeit: 28 min
t (min) %A %B flow (mL/min) Kommentar
0 79 21 1 Start (Gleichgewicht)
2 79 21 1 Ende der Anfangshaltezeit
17 5 95 1 Ende der LSS-Rampe
22 5 95 1 Säulenspülung
23 79 21 1 Rückkehr zu init
28 79 21 1 Reäquilibrierung
📚 Wissenschaftliche Referenzen (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-Peaksymmetrie-Rechner (USP Tf / As)

Berechnen Sie den USP-Tailing-Faktor (T) und die Asymmetrie (As) aus den Peak-Halbwertsbreiten. Geben Sie a (linke Halbbreite) und b (rechte Halbbreite) an, gemessen bei 5% oder 10% der Peakhöhe.

📚 Referenzen (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 ↗]
📊 Rechner für Auflösung und Bodenzahl (Rs, N, H)

Berechnen Sie die Auflösung Rs, die theoretische Bodenzahl N und HETP (H) für ein Paar von HPLC-Peaks. Geben Sie die Retentionszeiten, Peakbreiten (bei 50% oder an der Basis) und die Säulenlänge an.

📚 Referenzen (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.
🧪 Systemeignung — Live-Rechner (USP <621>)

Geben Sie Daten aus 5-6 Injektionen ein (Flächen, tR, Tailing, Böden) — der Rechner berechnet %RSD, Mittelwerte und prüft die Konformität mit USP <621>. Sie können CSV (kommagetrennt) einfügen oder einzelne Werte bearbeiten.

📚 Referenzen (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
Bibliografie (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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📚 REFERENZEN (Gesammelte Bibliografie, Chicago Author-Date) 126 Einträge

Alle wissenschaftlichen Quellen, die in den Akkordeons oben für CAS 7439-89-6 zitiert werden.Format: Chicago Manual of Style, 17. Aufl., Autor-Datum-System.

🗄️ Wissenschaftliche Datenbanken

  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 / Richtlinien

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  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.
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📖 Bücher

  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.

📄 Wissenschaftliche Artikel (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.

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