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MilliporeSigma

250279

3-(Trifluoromethyl)benzoyl chloride

98%

Synonym(s):

α,α,α-Trifluoro-m-toluoyl chloride

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$74.90

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$206.00

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About This Item

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

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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

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1 of 4

This Item
172901156035159387
3-(Trifluoromethyl)benzoyl chloride 98%

Sigma-Aldrich

250279

3-(Trifluoromethyl)benzoyl chloride

3-(Trifluoromethyl)benzonitrile 99%

Sigma-Aldrich

172901

3-(Trifluoromethyl)benzonitrile

3-(Trifluoromethyl)phenol 99%

Sigma-Aldrich

156035

3-(Trifluoromethyl)phenol

3-(Trifluoromethyl)phenyl isocyanate 97%

Sigma-Aldrich

159387

3-(Trifluoromethyl)phenyl isocyanate

assay

98%

assay

99%

assay

99%

assay

97%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

form

liquid

form

liquid

form

liquid

form

-

refractive index

n20/D 1.477 (lit.)

refractive index

n20/D 1.4575 (lit.)

refractive index

n20/D 1.458 (lit.)

refractive index

n20/D 1.467 (lit.)

bp

184-186 °C/750 mmHg (lit.)

bp

189 °C (lit.)

bp

178-179 °C (lit.)

bp

54 °C/11 mmHg (lit.)

density

1.383 g/mL at 25 °C (lit.)

density

1.281 g/mL at 25 °C (lit.)

density

1.333 g/mL at 25 °C (lit.)

density

1.359 g/mL at 25 °C (lit.)

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[1].

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ1127
MKCX0350
MKCW7041
MKCV3937
MKCS1690

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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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