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2,2,2-Trifluoroethyl Acetate
Trifluoroethyl acetate · 2,2,2-Trifluoroethyl acetate · 2,2,2-Trifluoroethanol acetate · 2,2,2-Trifluoroethylacetate97% · 2,2,2-Trifluoroethyl acetate 97% · Ethanol, 2,2,2-trifluoro-, acetate · 2,2,2-Trifluoroethyl Acetate(TFEA) · Ethanol, 2,2,2-trifluoro-, 1-acetate
Identifikatoren & physikalische Daten
| CAS No. | 406-95-1 |
|---|---|
| Summenformel | C4H5F3O2 |
| Durchschnittliche Molmasse | 142,08 g/mol |
| Monoisotopische Masse | 142,02416406 g/mol |
| SMILES | CC(=O)OCC(F)(F)F |
| InChIKey | ZOWSJJBOQDKOHI-UHFFFAOYSA-N |
| PubChem CID | 136256 |
| EC No. | 671-427-3 |
| DTXSID | DTXSID60193609 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 107 |
| SpringerMaterials Properties | Viscosity |
| Schmelzpunkt | <-80.15 °C |
| Siedepunkt | 78 °C |
| Dichte | 1,258 g/cm3 |
| Brechungsindex | 1.3202 |
| Flammpunkt | 11°C |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | clear liquid |
| Wichte | 1.258 |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Soluble in water (16 g/L) (25°C) |
| BRN | 1757502 |
| Henry-Konstante | 5.5×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| InChI | InChI=1S/C4H5F3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3 |
| InChIKey | ZOWSJJBOQDKOHI-UHFFFAOYSA-N |
| SMILES | C(OC(=O)C)C(F)(F)F |
| CAS Datenbank | 406-95-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| UN-Transportnummer | 3272 |
| Zollcode | 2915390090 |
| R-Sätze (R) | 11 |
| Gefahrensymbole | F |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 16-23-24/25 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2,2,2-Trifluoroethyl trifluoroacetate is used in the preparation of dimethyl (3,3,3-trifluoro-2,2-dihydroxypropyl)phosphonate