292095
2,2,2-Trifluoroethyl trifluoroacetate
≥95%
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About This Item
Linear Formula:
CF3CO2CH2CF3
CAS Number:
Molecular Weight:
196.05
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
206-985-5
MDL number:
Assay:
≥95%
InChI key
ZKUJOCJJXCPCFS-UHFFFAOYSA-N
InChI
1S/C4H2F6O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2
SMILES string
FC(F)(F)COC(=O)C(F)(F)F
vapor pressure
3.34 psi ( 20 °C)
assay
≥95%
refractive index
n20/D 1.277 (lit.)
bp
55 °C (lit.)
density
1.464 g/mL at 25 °C (lit.)
functional group
ester, fluoro
Application
2,2,2-Trifluoroethyl trifluoroacetate has been used in the preparation of dimethyl (3,3,3-trifluoro-2,2-dihydroxypropyl)phosphonate.
General description
The molecular structure of 2,2,2-trifluoroethyl trifluoroacetate has been determined in the gas-phase from electron-diffraction data supplemented by ab initio (MP2) and DFT calculations. Hydrogenation of 2,2,2-trifluoroethyl trifluoroacetate catalyzed by anionic tris-phosphine ruthenium hydride complex has been reported.
signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 2 - Skin Corr. 1B
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
32.0 °F - closed cup
flash_point_c
0 °C - closed cup
ppe
Faceshields, Gloves, Goggles
Regulatory Information
危险化学品
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Experimental and theoretical studies of the vibrations and structure of 2, 2, 2-trifluoroethyl trifluoroacetate, CF3CO2CH2CF3.
Defonsi Lestard ME, et al.
Journal of Molecular Structure, 917(2), 183-192 (2009)
Homogeneous catalytic hydrogenation of carboxylic acid esters to alcohols.
Grey RA, et al.
Journal of the Chemical Society. Chemical Communications, 16, 783-784 (1980)
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