Ethyltrifluormethansulfonat
ETHYL TRIFLATE · Ethyl trifluoromethanesulf · Ethyltrifluormethansulfonat · Ethyl trifluoromethanesulfote · Ethyl trifluoromethesulfonate · ETHYL TRIFLUROMETHANSULFONATE · Ethyl trifluoromethylsulfonate · Ethyl trifluoroMethanesulfonat
Identifikatoren & physikalische Daten
| CAS No. | 425-75-2 |
|---|---|
| Summenformel | C3H5F3O3S |
| Durchschnittliche Molmasse | 178,13 g/mol |
| Monoisotopische Masse | 177,99114968 g/mol |
| SMILES | CCOS(=O)(=O)C(F)(F)F |
| InChIKey | UVECLJDRPFNRRQ-UHFFFAOYSA-N |
| PubChem CID | 67924 |
| EC No. | 207-037-3 |
| DTXSID | DTXSID3059979 |
| Lokaler Name | Ethyltrifluormethansulfonat |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 186 |
| Siedepunkt | 115 °C (lit.) |
| Dichte | 1.374 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.336(lit.) |
| Flammpunkt | 96 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform, Methanol (Slightly)Hydrolyzes in water. |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Wichte | 1.374 |
| BRN | 1770746 |
| Stabilität | Volatile |
| InChI | 1S/C3H5F3O3S/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3 |
| InChIKey | UVECLJDRPFNRRQ-UHFFFAOYSA-N |
| SMILES | CCOS(=O)(=O)C(F)(F)F |
| CAS Datenbank | 425-75-2(CAS DataBase Reference) |
| EPA chemische Informationen | Methanesulfonic acid, trifluoro-, ethyl ester (425-75-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 72 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Methanesulphonic acid, trifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 3 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 10-34 |
| Gefahrensymbole | C,T,F |
| hazard_note | Highly Toxic |
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
| Gefahrenklasse | 8Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
Ethyl trifluoromethanesulfonate is a cationic polymerization agent used to produce polyurethane, polyacrylate, and other synthetic resins. It is an effective drug for the treatment of HIV infection and chronic bronchitis. Ethyl trifluoromethanesulfonate has been shown to inhibit the replication of HIV-1 virus at concentrations as low as 1 μM when tested in vitro. The mechanism of this drug's anti-HIV activity is unknown and may involve the inhibition of reverse transcriptase or proteases. Ethyl trifluoromethanesulfonate can be detected in vivo up to 4 hours after administration. This drug is metabolized into trifluoroacetic acid by esterases, glycosidases, and/or oxidases.
Verwenden
Ethyl trifluoromethanesulfonate is a powerful ethylating agent. due to the strong electron-absorbing ability of trifluoromethanesulfonyl, the reactivity is much higher than that of conventional alkylation reagents such as bichloride or alkyl sulfonate.