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Safety Information

390755

Sigma-Aldrich

Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate

97%

Synonym(s):

Difluoro(fluorosulfonyl)acetic acid methyl ester

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About This Item

Linear Formula:
FSO2CF2CO2CH3
CAS Number:
680-15-9
Molecular Weight:
192.11
Beilstein:
1812896
MDL number:
MFCD00144316
UNSPSC Code:
12352100
PubChem Substance ID:
24864345
NACRES:
NA.22

Quality Level

100

Assay

97%

form

liquid

reaction suitability

reaction type: click chemistry

refractive index

n20/D 1.351 (lit.)

bp

117-118 °C (lit.)

density

1.509 g/mL at 25 °C (lit.)

functional group

ester
fluoro

SMILES string

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

InChI

1S/C3H3F3O4S/c1-10-2(7)3(4,5)11(6,8)9/h1H3

InChI key

GQJCAQADCPTHKN-UHFFFAOYSA-N

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Related Categories

Application

  • Useful reagent for the trifluoromethylation of alkyl halides.
  • Broadly applicable reagent for perfluoroalkylations for aryl iodides and bromides

Pictograms

FlameCorrosion
GHS02,GHS05

Signal Word

Danger

Hazard Statements

H226,H314

Hazard Classifications

Flam. Liq. 3 - Skin Corr. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

116.6 °F - closed cup

Flash Point(C)

47 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

390755-BULK:
390755-5G:
390755-VAR:
390755-1G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN2858
MKCM1700
MKCL2338
MKCF9523
MKCF0493

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Journal of the Chemical Society. Chemical Communications, 705-705 (1989)
A broadly applicable copper reagent for trifluoromethylations and perfluoroalkylations of aryl iodides and bromides.
Hiroyuki Morimoto et al.
Angewandte Chemie (International ed. in English), 50(16), 3793-3798 (2011-03-29)
David Orr et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 20(44), 14305-14316 (2014-09-13)
Vinyl cyclopropane rearrangement (VCPR) has been utilised to synthesise a difluorinated cyclopentene stereospecifically and under mild thermal conditions. Difluorocyclopropanation chemistry afforded ethyl 3-(1'(2'2'-difluoro-3'-phenyl)cyclopropyl) propenoate as all four stereoisomers (18a, 18b, 22a, 22b) (all racemic). The trans-E isomer (18a), prepared in

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