Ethyltrifluormethansulfonat
Ethyl trifluoromethanesulphonate
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Grundinformationen
- CAS
425-75-2- 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
Ethyl trifluoromethanesulfonate425-75-2Ethyl trifluoromethanesulphonateEINECS 207-037-3DTXSID3059979Methanesulfonic acid, 1,1,1-trifluoro-, ethyl esterRefChem:596427DTXCID0040123207-037-3Ethyl TriflateTrifluoromethanesulfonic acid ethyl esterC3H5F3O3S
Weitere Namen anzeigen
Ethyl trifluoromethanesulfEthyltrifluormethansulfonatEthyl trifluoromethanesulfoteEthyl trifluoromethesulfonateETHYL TRIFLUROMETHANSULFONATEEthyl trifluoromethylsulfonateEthyl trifluoroMethanesulfonatETHYL TRIFLURO METHANESULFONATE
ethyltrifluoromethanesulfonateMethanesulfonic acid, trifluoro-, ethyl esterMFCD00000410ethyl (trifluoromethyl)sulfonateEthyl trifiateEtOTfSCHEMBL47322ethyl trifluoromethane sulfonate
Datenbank-Bezeichner
- CAS
425-75-2- PubChem CID
- 67924
- DTXSID
DTXSID3059979- EC Number
- 207-037-3
- Nikkaji
- J196.102K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- 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)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
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
Regulatory InformationMethanesulphonic acid, trifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
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
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationMethanesulfonic acid, 1,1,1-trifluoro-, ethyl ester: ACTIVE
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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