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250279

3-(Trifluoromethyl)benzoyl chloride

Name: 3-(Trifluoromethyl)benzoyl chloride
Brand: ALDRICH

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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24855047

EC Number:

218-844-5

Beilstein/REAXYS Number:

391266

MDL number:

MFCD00000680

Assay:

98%

Form:

liquid

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Properties

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.)

functional group

acyl chloride, fluoro

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

Description

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

GHS05

signalword

Danger

hcodes

H314

pcodes

P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors.

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

Global Trade Item Number

SKU	GTIN
250279-5ML	04061825937366
250279-25ML	04061836691646