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3,3,4,4,4-Pentafluorobutan-1-ol
3,3,4,4,4-Pentafluoro-1-butanol · 2:2 FTOH · PENTAFLUOROBUTANOL-1 · 3,3,4,4,4-PENTAFLUOROBUT · 3,3,4,4,4-Perfluorobutan-1-ol · 3,3,4,4,4-PENTAFLUOROBUTANOL-1 · 3,3,4,4,4-Pentafluorobutan-1-ol · 1-Butanol, 3,3,4,4,4-pentafluoro-
Identifikatoren & physikalische Daten
| CAS No. | 54949-74-5 |
|---|---|
| Summenformel | C2F5CH2CH2OH |
| Durchschnittliche Molmasse | 164,07 g/mol |
| Monoisotopische Masse | 164,02605588 g/mol |
| SMILES | OCCC(F)(F)C(F)(F)F |
| InChIKey | JPMHUDBOKDBBLG-UHFFFAOYSA-N |
| PubChem CID | 108644 |
| ChEMBL | CHEMBL4541114 |
| EC No. | 259-405-8 |
| DTXSID | DTXSID6068985 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 107 |
| PFAS | PFASPFAS -> Fluorotelomer based substancesPFAS -> F-telomer alcohols (FTOH)PFAS -> Other/unspecified |
| Siedepunkt | 83-85°C |
| Dichte | 1.374±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.315 |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly) |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 14.11±0.10(Predicted) |
| Farbe | Clear |
| Henry-Konstante | 5.1×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C4H5F5O/c5-3(6,1-2-10)4(7,8)9/h10H,1-2H2 |
| InChIKey | JPMHUDBOKDBBLG-UHFFFAOYSA-N |
| SMILES | FC(CCO)(F)C(F)(F)F |
| EPA chemische Informationen | 1-Butanol, 3,3,4,4,4-pentafluoro- (54949-74-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | S - indicates a substance that is identified in a final Significant New Use Rule. |
| Hazard Classes and Categories | Flam. Liq. 2 (25%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1987 |
| Zollcode | 2905599890 |
| R-Sätze (R) | 10 |
| Gefahrensymbole | F |
| Sicherheitshinweise (S) | 16 |
| Gefahrenklasse | FLAMMABLEAcute Tox. 4 Oral |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,3,4,4,4-Pentafluorobutan-1-ol is used in the synthesis of dialkyl fluoroalkyl phosphates.