2,2,2-Trifluoroethyl Methanesulfonate

HCID 556565

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Grundinformationen

CAS: 25236-64-0
Standard-SMILES: CS(=O)(=O)OCC(F)(F)F
InChIKey: ICECLJDLAVVEOW-UHFFFAOYSA-N
Summenformel: C3H5F3O3S
Durchschnittliche Molmasse: 178,13 g/mol
Monoisotopische Masse: 177,99114968

Namen und Bezeichner

Bevorzugter Name: 2,2,2-Trifluoroethyl Methanesulfonate
IUPAC: 2,2,2-trifluoroethyl methanesulfonate
Englischer Name: 2,2,2-Trifluoroethyl methanesulfonate
Summenformel: C3H5F3O3S
Molmasse: 178.13

Namen und Synonyme

2,2,2-Trifluoroethyl methanesulfonate25236-64-0Ethanol, 2,2,2-trifluoro-, 1-methanesulfonateICECLJDLAVVEOW-UHFFFAOYSA-DTXSID20339501RefChem:80808DTXCID20290582607-659-9ICECLJDLAVVEOW-UHFFFAOYSA-NInChI=1/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H32,2,2-trifluoromethyl mesylateMFCD00025058

Weitere Namen anzeigen

Tresylklorid2,2,2-Trifluoro-ethanol 1-mesylate5,5,5-trifluoro-2-methylenepentanoate2,2,2-TrifluoroethylMethanesulfonate>2,2,2-Trifluoroethylmethanesulphonate98%2,2,2-Trifluoroethyl methanesulphonate 98%

Methanesulfonic Acid 2,2,2-Trifluoroethyl Ester2,2,2-trifluoroethyl methanesulphonate2,2,2-trifluoroethyl mesylate2,2,2-trifluoroethyl methylsulfonate2,2,2-Trifluoro-ethanol 1-methanesulfonateCF3CH2OSO2CH3SCHEMBL796831SBB089376

Datenbank-Bezeichner

CAS: 25236-64-0
PubChem CID: 556565
DTXSID: DTXSID20339501
EC Number: 607-659-9
Nikkaji: J1.222.500H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 186

Physikochemische Eigenschaften

Siedepunkt: 99 °C · 99 °C / 35mmHg
Dichte: 1.513 g/mL · 1.513 g/mL at 20 °C (lit.)
Brechungsindex: 20 · n20/D 1.367
Flammpunkt: 103 °C · 103°C
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: clear liquid
Wichte: 1.52 · 1.520
Farbe: Colorless to Light yellow
BRN: 1863049 · 1863049
InChI: InChI=1S/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
InChIKey: ICECLJDLAVVEOW-UHFFFAOYSA-N
SMILES: C(OS(C)(=O)=O)C(F)(F)F
CAS Datenbank: 25236 · 25236-64-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302+H332 (39.4%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.