HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,2,2-Trifluoroethyl trifluoromethanesulfonate
2,2,2-TRIFLUOROETHYL TRIFLATE · 2,2,2-TRIFLUOROETHYL TRIFLUOROMETHANESULPHONATE · TFOL-TF · TRIFLUOROMETHANESULFONIC ACID 2,2,2-TRIFLUOROETHYL ESTER · 2,2,2-Trifluoroethyl Triflante · 2,2,2-Trifluoroethyl trifluoromethanesulf · 2-Trifluoroethyl trifluoromethanesulfonate · 2,2,2-Trifluoroethytrifluoromethanesulfonate
Identifikatoren & physikalische Daten
| CAS No. | 6226-25-1 |
|---|---|
| Summenformel | C3H2F6O3S |
| Durchschnittliche Molmasse | 232,1 g/mol |
| Monoisotopische Masse | 231,96288424 g/mol |
| SMILES | O=S(=O)(OCC(F)(F)F)C(F)(F)F |
| InChIKey | RTMMSCJWQYWMNK-UHFFFAOYSA-N |
| PubChem CID | 80366 |
| EC No. | 458-390-7 |
| DTXSID | DTXSID1073365 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 254 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| Siedepunkt | 89-91°C |
| Dichte | 1,61 g/cm3 |
| Brechungsindex | 1.3037 |
| Flammpunkt | >110°(230°F) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Methanol (Slightly)Slightly soluble in water. |
| Aggregatzustand | Liquid |
| Farbe | Colorless to yellow |
| InChI | InChI=1S/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2 |
| InChIKey | RTMMSCJWQYWMNK-UHFFFAOYSA-N |
| SMILES | C(F)(F)(F)S(OCC(F)(F)F)(=O)=O |
| CAS Datenbank | 6226-25-1(CAS DataBase Reference) |
| EPA chemische Informationen | Methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester (6226-25-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 91 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226 (14.3%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 19-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34098 |
| Hazard Classes and Categories | Flam. Liq. 3 (14.3%)Acute Tox. 3 (85.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3265 |
| Zollcode | 29055900 |
| R-Sätze (R) | 36/37/38-34-23/25 |
| Gefahrensymbole | Xi,T,C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 2 InhalationAcute Tox. 3 OralSkin Corr. 1B |
| Verpackungsgruppe | Ⅱ |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
2,2,2-Trifluoroethyl trifluoromethanesulfonate is a powerful trifluoroethylating agent which is useful for synthesis of fluorinated amino acids. It is used as a reagent in thenantioselective preparation of cyclic N-aryl hydroxamic acids via phase-transfer catalyzed alkylation of nitrobenzyl bromides to give nirophenylalanines.