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2,2,3,4,4,4-Hexafluorbutan-1-ol
Hexafluorobutanol · 2,2,3,4,4,4-HEXAFLUOROBUTAN-1-OL · uoro-1-butanoL · HEXAFLUORO-1-BUTANOL · Hexafluorobutanol (HFB) · 1H,1H,3H-HEXAFLUOROBUTANOL · 1H,1H,3H-PerfluoroButan-1-ol · 2,2,3,4,4,4-HEXAFLUOROBUTANOL
Identifikatoren & physikalische Daten
| CAS No. | 382-31-0 |
|---|---|
| Summenformel | C4H4F6O |
| Durchschnittliche Molmasse | 182,06 g/mol |
| Monoisotopische Masse | 182,01663407 g/mol |
| SMILES | OCC(F)(F)C(F)C(F)(F)F |
| InChIKey | LVFXLZRISXUAIL-UHFFFAOYSA-N |
| PubChem CID | 533990 |
| ChEMBL | CHEMBL4526528 |
| EC No. | 206-842-7 |
| DTXSID | DTXSID00870523 |
| Lokaler Name | 2,2,3,4,4,4-Hexafluorbutan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 129 |
| PFAS | PFAS -> OECD CategoryPFAS -> Other/unspecified |
| Schmelzpunkt | 68°C |
| Siedepunkt | 114 °C/740 mmHg (lit.) |
| Dichte | 1.557 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.312(lit.) |
| Flammpunkt | 125 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 13.10±0.10(Predicted) |
| Wichte | 1.557 |
| Farbe | Colorless to Light yellow |
| BRN | 1753872 |
| Henry-Konstante | 3.2×10-1 mol/(m3Pa) at 25℃, I. et al. (1999) |
| InChI | InChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2 |
| InChIKey | LVFXLZRISXUAIL-UHFFFAOYSA-N |
| SMILES | C(O)C(F)(F)C(F)C(F)(F)F |
| CAS Datenbank | 382-31-0(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Butanol, 2,2,3,4,4,4-hexafluoro- (382-31-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (13%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (13%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29055900 |
| R-Sätze (R) | 20/22-36/37/38 |
| Gefahrensymbole | Xn,Xi,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 3Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,2,3,4,4,4-Hexafluoro-1-butanol may be used in the preparation of fluorinated cationic guar gum (FCGG)., It may be employed as solvent to evaluate the dynamic nuclear polarization (DNP) parameters for the solutions of free radicals Galvinoxyl (GALV) and α,γ-bisdiphenylene-β-phenyl allyl complex with benzene (1:1) (BDPA).