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Merck
CN

249831

Methyl trifluoroacetate

99%

Synonym(s):

Methyl 2,2,2-trifluoroacetate, Methyl perfluoroacetate

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About This Item

Linear Formula:
CF3COOCH3
CAS Number:
431-47-0
Molecular Weight:
128.05
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24855016
EC Number:
207-074-5
Beilstein/REAXYS Number:
1756070
MDL number:
MFCD00000417
Assay:
99%
Form:
liquid

Key Documents

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Product Name

Methyl trifluoroacetate, 99%

InChI key

VMVNZNXAVJHNDJ-UHFFFAOYSA-N

InChI

1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3

SMILES string

COC(=O)C(F)(F)F

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

Quality Level

200

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Application

Methyl trifluoroacetate has been used as reagent for trifluoroacetylation of amines and amino acids.

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.

pictograms

FlameCorrosion
GHS02,GHS05

signalword

Danger

hcodes

H225,H314

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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Certificates of Analysis (COA)

Lot/Batch Number
SDBB6095
SDBB4491
SDBB3528
STBL3578
STBL1797

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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)
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)
Nucleophilic trifluoromethylation of aryl halides with methyl trifluoroacetate.
Langlois BR and Roques N.
Journal of Fluorine Chemistry, 128(10), 1318-1325 (2007)
Diana Bahhir et al.
PLoS genetics, 15(10), e1008410-e1008410 (2019-10-05)
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Helen E Vuong et al.
The Journal of neuroscience : the official journal of the Society for Neuroscience, 35(48), 15955-15970 (2015-12-04)
An inner retinal microcircuit composed of dopamine (DA)-containing amacrine cells and melanopsin-containing, intrinsically photosensitive retinal ganglion cells (M1 ipRGCs) process information about the duration and intensity of light exposures, mediating light adaptation, circadian entrainment, pupillary reflexes, and other aspects of

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