CAS 1513-87-7 Bis(2,2,2-trifluoroethyl) Carbonate (HCID 11447463)

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Grundinformationen

CAS: 1513-87-7
Standard-SMILES: O=C(OCC(F)(F)F)OCC(F)(F)F
InChIKey: WLLOZRDOFANZMZ-UHFFFAOYSA-N
Summenformel: C5H4F6O3
Durchschnittliche Molmasse: 226,072 g/mol
Monoisotopische Masse: 226,00646331

Namen und Bezeichner

Bevorzugter Name: Bis(2,2,2-trifluoroethyl) Carbonate
IUPAC: Carbonic acid--2,2,2-trifluoroethan-1-ol (1/2)
Englischer Name: TFEC
Summenformel: C5H4F6O3
Molmasse: 226.07

Namen und Synonyme

bis(2,2,2-trifluoroethyl) carbonateFDECTFECTFEC CASJACS-1513-87-7Bistrifluoroethyl carbonatetri (trifluoroethyl) carbonateDi(2,2,2-trifluoroethyl) carbonate2,2,2-Trifluoroethanolcarbonic acidcarbonic acid,2,2,2-trifluoroethanol

Datenbank-Bezeichner

CAS: 1513-87-7
PubChem CID: 11447463
DTXSID: DTXSID30778861
EC Number: 807-996-3
Nikkaji: J1.483.176B

Eigenschaften

Physikochemische Eigenschaften

Siedepunkt: 118 °C · 118°C(lit.)
Dichte: 1.47 · 1.470±0.06 g/cm3(Predicted)
Brechungsindex: 1.312 to · 1.3120 to 1.3160
storage temp.: Store at room temperature, keep dry and cool
Löslichkeit: Chloroform (Soluble), Methanol (Slightly)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Major Application: battery manufacturing
InChI: InChI=1S/C5H4F6O3/c6-4(7,8)1-13-3(12)14-2-5(9,10)11/h1-2H2
InChIKey: WLLOZRDOFANZMZ-UHFFFAOYSA-N
SMILES: C(OCC(F)(F)F)(=O)OCC(F)(F)F

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: WGK 3
ridadr: UN 3272 3/PG II
hs_code: 2920901090
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2

Chemie und Industrie

Darstellung · 1 Eintrag

synthetischeA solution of 2,2,2-trifluoroethanol (200 g, 2.0 mol) and pyridine (158 g, 2.0 mol) in dry diethyl ether (1 L) was treated with phosgene (99 g, 1.0 mol). The reaction mixture was stirred overnight and then filtered. The filtrate was distilled to give 199 g (88%) of bis(2,2,2-trifluoroethyl) carbonate.