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4,4,4-Trifluorobutan-1-ol
4,4,4-TRIFLUOROBUTAN-1-OL · 4,4,4-TRIFLUOROBUTANOL · 4,4,4-Trifluoro-n-butanol · Trifluorobutanol · 4,4,4-trifluoroprolol · 4,4,4-Trifluorobutan-1 · 4,4,4-Trifluoro-1-butano · 4,4,4-TRIFLUOROBUTANOL-1
Identifikatoren & physikalische Daten
| CAS No. | 461-18-7 |
|---|---|
| Summenformel | C4H7F3O |
| Durchschnittliche Molmasse | 128,09 g/mol |
| Monoisotopische Masse | 128,0448995 g/mol |
| SMILES | OCCCC(F)(F)F |
| InChIKey | VKRFUGHXKNNIJO-UHFFFAOYSA-N |
| PubChem CID | 136307 |
| ChEMBL | CHEMBL4438811 |
| EC No. | 610-282-2 |
| DTXSID | DTXSID40196714 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 58,8 |
| PFAS | PFAS -> F-telomer alcohols (FTOH) |
| LogP (Verteilungskoeffizient) | 0.9 |
| Siedepunkt | 123 °C |
| Dichte | 1,193 g/cm3 |
| Brechungsindex | 1.3425 |
| Flammpunkt | 52°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.76±0.10(Predicted) |
| Farbe | Colorless to Almost colorless |
| BRN | 1736068 |
| InChI | InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2 |
| InChIKey | VKRFUGHXKNNIJO-UHFFFAOYSA-N |
| SMILES | C(O)CCC(F)(F)F |
| CAS Datenbank | 461-18-7(CAS DataBase Reference) |
| EPA chemische Informationen | 4,4,4-Trifluorobutan-1-ol (461-18-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): 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, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29055900 |
| R-Sätze (R) | 10-22-36 |
| Gefahrensymbole | F,Xn |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 23-24/25-26 |
| Gefahrenklasse | 3Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
4,4,4-Trifluoro-1-butanol is a fluorinated alcohol compound used as a synthetic reagent or organic solvent. It can react with aldehydes and ketones to form alcohols and with carboxylic acids to form esters. It can also react with halogens to form halogenated hydrocarbons and with nitrogen-containing compounds to form amines and other compounds. Its solvent properties contribute to the efficient dissolution and preparation of other compounds.