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249831

Sigma-Aldrich

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
Beilstein:
1756070
EC Number:
207-074-5
MDL number:
MFCD00000417
UNSPSC Code:
12352100
PubChem Substance ID:
24855016
NACRES:
NA.22
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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

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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[1]. Adsorption of methyl trifluoroacetate on amorphous silica has been investigated[2]. 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[3].

Application

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

Pictograms

FlameCorrosion
GHS02,GHS05

Signal Word

Danger

Hazard Statements

H225,H314

Hazard Classifications

Flam. Liq. 2 - Skin Corr. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

-4.0 °F - closed cup

Flash Point(C)

-20 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBL3578
STBL1797
STBK9272
STBK1797
STBJ4863

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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)
Mitochondria have been increasingly recognized as a central regulatory nexus for multiple metabolic pathways, in addition to ATP production via oxidative phosphorylation (OXPHOS). Here we show that inducing mitochondrial DNA (mtDNA) stress in Drosophila using a mitochondrially-targeted Type I restriction
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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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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