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250279

Sigma-Aldrich

3-(Trifluoromethyl)benzoyl chloride

98%

Synonym(s):

α,α,α-Trifluoro-m-toluoyl chloride

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About This Item

Linear Formula:
CF3C6H4COCl
CAS Number:
2251-65-2
Molecular Weight:
208.56
Beilstein:
391266
EC Number:
218-844-5
MDL number:
MFCD00000680
UNSPSC Code:
12352100
PubChem Substance ID:
24855047
NACRES:
NA.22

Quality Level

100

Assay

98%

form

liquid

refractive index

n20/D 1.477 (lit.)

bp

184-186 °C/750 mmHg (lit.)

density

1.383 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)c1cccc(c1)C(Cl)=O

InChI

1S/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H

InChI key

RUJYJCANMOTJMO-UHFFFAOYSA-N

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Application

3-(Trifluoromethyl)benzoyl chloride has been used in the preparation of intermediates, required for synthesis of C-2 and C-3 substituted pyrazolo[1,5-a]pyrimidines.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible, corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °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

Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

Certificates of Analysis (COA)

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Dan M Berger et al.
Bioorganic & medicinal chemistry letters, 19(23), 6519-6523 (2009-10-30)
As part of our research effort to discover B-Raf kinase inhibitors, we prepared a series of C-3 substituted N-(3-(pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamides. X-ray crystallography studies revealed that one of the more potent inhibitors (10n) bound to B-Raf kinase without forming a hinge-binding hydrogen

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