Grundinformationen
- Standard-SMILES
CCOS(=O)(=O)C(F)(F)F- InChIKey
UVECLJDRPFNRRQ-UHFFFAOYSA-N- Summenformel
- C3H5F3O3S
- Durchschnittliche Molmasse
- 178,13 g/mol
- Monoisotopische Masse
- 177,99114968
Namen und Bezeichner
- Bevorzugter Name
- Ethyl trifluoromethanesulphonate
- IUPAC
- ethyl trifluoromethanesulfonate
- Lokaler Name
- Ethyltrifluormethansulfonat
- Englischer Name
- Ethyl trifluoromethanesulfonate
- Summenformel
- C3H5F3O3S
- Molmasse
- 178.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
425-75-2- PubChem CID
- 67924
- DTXSID
DTXSID3059979- EC Number
- 207-037-3
- Nikkaji
- J196.102K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 51,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 186
Physikochemische Eigenschaften
- Siedepunkt
- 115 °C · 115 °C (lit.)
- Dichte
- 1.374 g/mL · 1.374 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.336(lit.)
- Flammpunkt
- 96 °F · 96 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform, Methanol (Slightly)
- Aggregatzustand
- Oil
- Farbe
- Colourless
- Wichte
- 1.374 · 1.374
- Wasserlöslichkeit
- Hydrolyzes in water.
- BRN
- 1770746 · 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 · 425-75-2(CAS DataBase Reference)
- EPA chemische Informationen
- Methanesulfonic acid, trifluoro-, ethyl ester (425-75-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (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.
Gefahrenhinweise
Sicherheitsdaten
- F
- 3
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29049090
- risk_code
- 10-34
- hazard_code
- C,T,F
- hazard_note
- Highly Toxic
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
BeschreibungEthyl 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.
VerwendenEthyl 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.
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