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Ethylpentafluorpropionat
Ethyl 2,2,3,3,3-pentafluoropropanoate · TIMTEC-BB SBB008810 · RARECHEM AL BI 0480 · ETHYL PENTAFLUOROPROPIOTE · ETHYL PERFLUOROPROPIONATE · Ethyl pentafluoropentanoate · Ethyl pentafluoropropanoate · Ethyl pentafluoropropionate
Identifikatoren & physikalische Daten
| CAS No. | 426-65-3 |
|---|---|
| Summenformel | C5H5F5O2 |
| Durchschnittliche Molmasse | 192,08 g/mol |
| Monoisotopische Masse | 192,0209705 g/mol |
| SMILES | CCOC(=O)C(F)(F)C(F)(F)F |
| InChIKey | DBOFMRQAMAZKQY-UHFFFAOYSA-N |
| PubChem CID | 67928 |
| EC No. | 207-043-6 |
| DTXSID | DTXSID2059980 |
| Lokaler Name | Ethylpentafluorpropionat |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 173 |
| PFAS | PFAS -> Other/unspecified |
| Schmelzpunkt | 75.5°C |
| Siedepunkt | 75-76 °C (lit.) |
| Dichte | 1.299 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.301(lit.) |
| Flammpunkt | 35 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 1.299 |
| BRN | 1779789 |
| InChI | InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3 |
| InChIKey | DBOFMRQAMAZKQY-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(F)(F)C(F)(F)F |
| CAS Datenbank | 426-65-3(CAS DataBase Reference) |
| EPA chemische Informationen | Ethyl perfluoropropionate (426-65-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): 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 7 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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3272 3/PG 2 |
| Zollcode | 29159000 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 16-26-33-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Ethyl pentafluoropropionate has been used:as pentafluoroethyl source in the direct synthesis of pentafluoroethyl copper (CuC2F5)in the synthesis of C-6 substituted fluoroalkenyl 2,4-dimethoxypyrimidine derivative