2,2,2-Trifluoroethyl Acetate

HCID 136256CAS 406-95-1

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Grundinformationen

Standard-SMILES: CC(=O)OCC(F)(F)F
InChIKey: ZOWSJJBOQDKOHI-UHFFFAOYSA-N
Summenformel: C4H5F3O2
Durchschnittliche Molmasse: 142,08 g/mol
Monoisotopische Masse: 142,02416406

Namen und Bezeichner

Bevorzugter Name: 2,2,2-Trifluoroethyl Acetate
IUPAC: 2,2,2-trifluoroethyl acetate
Englischer Name: 2,2,2-Trifluoroethyl acetate
Summenformel: C4H5F3O2
Molmasse: 142.08

Namen und Synonyme

2,2,2-trifluoroethyl acetatetrifluoroethyl acetateEthanol, 2,2,2-trifluoro-, acetateAcetic acid, 2,2,2-trifluoroethyl esterUNII-EN07RVL78UDTXSID60193609ETHANOL, 2,2,2-TRIFLUORO-, 1-ACETATERefChem:80804DTXCID50116100671-427-3FMDMKDPUFQNVSH-UHFFFAOYSA-N406-95-1

Weitere Namen anzeigen

2,2,2-Trifluoroethylacetate97%2,2,2-Trifluoroethyl acetate 97%2,2,2-Trifluoroethyl Acetate(TFEA)2,2,2-Trifluoroethyl ethanoate, Acetic acid 2,2,2-trifluoroethyl ester

2,2,2-TRIFLUOROETHYLACETATEMFCD00198018acetic acid 2,2,2-trifluoroethyl ester2,2,2-trifluoroethanol acetateEN07RVL78U2,2,2-Trifluoroethyl ethanoate2-Acetoxy-1,1,1-trifluoroethanetrifluoroethylacetate

Datenbank-Bezeichner

CAS: 406-95-1
PubChem CID: 136256
DTXSID: DTXSID60193609
UNII: EN07RVL78U
EC Number: 671-427-3
Nikkaji: J370.998A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 107

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesViscosity

Physikochemische Eigenschaften

Schmelzpunkt: -80.15 °C · <-80.15 °C
Siedepunkt: 78 °C · 78 °C
Dichte: 1 · 1,258 g/cm3
Brechungsindex: 1.3202 · 1.3202
Flammpunkt: 11 °C · 11°C
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: clear liquid
Wichte: 1.258 · 1.258
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Soluble in water (16 g/L) (25°C)
BRN: 1757502 · 1757502
Henry's Law Constant: 5.5 · 5.5×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
InChI: InChI=1S/C4H5F3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3
InChIKey: ZOWSJJBOQDKOHI-UHFFFAOYSA-N
SMILES: C(OC(=O)C)C(F)(F)F
CAS Datenbank: 406 · 406-95-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.