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1,1,1-Trifluorpropan-2-ol
1,1,1-TRIFLUOROPROPAN-2-OL · Cediranib Impurity 2 · 1,1,1-TRIFLUOROPROPANOL-2 · 1,1,1-trifluoro-2-propano · 1,1,1-TRIFLUOROISOPROPANOL · 1,1,1-Trifluoro-2-propanol · 2-propanol,1,1,1-trifluoro- · 2-Propanol, 1,1,1-trifluoro-
Identifikatoren & physikalische Daten
| CAS No. | 374-01-6 |
|---|---|
| Summenformel | C3H5F3O |
| Durchschnittliche Molmasse | 114,07 g/mol |
| Monoisotopische Masse | 114,02924944 g/mol |
| SMILES | CC(O)C(F)(F)F |
| InChIKey | GILIYJDBJZWGBG-UHFFFAOYSA-N |
| PubChem CID | 9774 |
| EC No. | 206-773-2 |
| DTXSID | DTXSID20870520 |
| Lokaler Name | 1,1,1-Trifluorpropan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 57,7 |
| Stoffklassen | Other Classes -> Halogenated Alcohols |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 0.71 |
| Dampfdruck | 60.9 [mmHg] |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -52 °C |
| Siedepunkt | 81-82 °C(lit.) |
| Dichte | 1.259 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.316(lit.) |
| Flammpunkt | 65 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 12.53±0.20(Predicted) |
| Farbe | Clear |
| Löslichkeit | Fully miscible in water. |
| BRN | 1734738 |
| Henry-Konstante | 1.3×10-1 mol/(m3Pa) at 25℃, I. et al. (1999) |
| InChI | InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3 |
| InChIKey | GILIYJDBJZWGBG-UHFFFAOYSA-N |
| SMILES | C(F)(F)(F)C(O)C |
| CAS Datenbank | 374-01-6(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Propanol, 1,1,1-trifluoro- (374-01-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (89.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritant[Alfa Aesar MSDS] See Trifluoroethanol and 1,3-Dichloro-2-propanol. |
| Hazard Classes and Categories | Flam. Liq. 2 (89.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 1 |
| Zollcode | 29055900 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 16-26-33-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1,1,1-Trifluoro-2-propanol is used as a chemical building block.