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About This Item
Linear Formula:
CF3COOCH3
CAS Number:
Molecular Weight:
128.05
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-074-5
Beilstein/REAXYS Number:
1756070
MDL number:
Assay:
99%
Form:
liquid
vapor pressure
5.77 psi ( 20 °C)
assay
99%
form
liquid
refractive index
n20/D 1.291 (lit.)
bp
43-43.5 °C (lit.)
density
1.273 g/mL at 25 °C (lit.)
functional group
ester, fluoro
SMILES string
COC(=O)C(F)(F)F
InChI
1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3
InChI key
VMVNZNXAVJHNDJ-UHFFFAOYSA-N
General description
Methyl trifluoroacetate along with cesium fluoride or cesium chloride and CuI constitutes a valuable trifluoromethylating reagent for substituting aromatic (or heteroaromatic) iodides and bromides. Adsorption of methyl trifluoroacetate on amorphous silica has been investigated. Fragmentation mechanism of generation of metastable ions from methyl trifluoroacetate has been investigated by mass analyzed ion kinetic energy spectra and ab initio molecular orbital calculations.
Application
Methyl trifluoroacetate has been used as reagent for trifluoroacetylation of amines and amino acids.
signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 2 - Skin Corr. 1B
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
-4.0 °F - closed cup
flash_point_c
-20 °C - closed cup
ppe
Faceshields, Gloves, Goggles
Regulatory Information
危险化学品
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Nucleophilic trifluoromethylation of aryl halides with methyl trifluoroacetate.
Langlois BR and Roques N.
Journal of Fluorine Chemistry, 128(10), 1318-1325 (2007)
Studies of the adsorption of acetaldehyde, methyl acetate, ethyl acetate, and methyl trifluoroacetate on silica.
Natal-Santiago MA, et al.
J. Mol. Catal. A: Chem., 140(2), 199-214 (1999)
Decomposition of metastable methyl trifluoroacetate and ethyl trifluoroacetate upon electron impact.
Sekiguchi O, et al.
International Journal of Mass Spectrometry, 177(1), 23-30 (1998)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 249831-100G | 04061838347978 |
| 249831-25G | 04061838347985 |