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549029

3-Bromo-5-fluorobenzotrifluoride

Name: 3-Bromo-5-fluorobenzotrifluoride
Brand: ALDRICH

97%

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About This Item

Linear Formula:

BrC₆H₃(F)CF₃

CAS Number:

130723-13-6

Molecular Weight:

243.00

NACRES:

NA.22

PubChem Substance ID:

24878956

UNSPSC Code:

12352100

MDL number:

MFCD00042498

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Properties

assay

97%

refractive index

n20/D 1.456 (lit.)

bp

138-139 °C (lit.)

density

1.511 g/mL at 25 °C (lit.)

SMILES string

Fc1cc(Br)cc(c1)C(F)(F)F

InChI

1S/C7H3BrF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H

InChI key

LIGBGEJPUQBLTG-UHFFFAOYSA-N

Description

Application

3-Bromo-5-fluorobenzotrifluoride (1-Bromo-3-fluoro-5-(trifluoromethyl)benzene) may be used in the preparation of:

6-(3-fluoro-5-trifluoromethylphenyl)-hex-5-ynoic acid methyl ester
(E)-5-[1-(3-fluoro-5-trifluoromethylphenyl)-5-methoxycarbonyl-pent-1-enyl]-2-methoxy-3-methylbenzoic acid methyl ester
(E)-3-[4-(3-fluoro-5-trifluoromethylphenyl)-4-(3,4-dimethoxyphenyl)-but-3-enyl]-oxazolidin-2-one
(E)-5-[1-(3-fluoro-5-trifluoromethylphenyl)-4-(2-oxo-oxazolidin-3-yl)-but-1-enyl]-2-methoxy-3-methylbenzoic acid methyl ester

Storage Class

12 - Non Combustible Liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

Regulatory Information

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Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors.

Deng BL, et al.

Journal of Medicinal Chemistry, 48(19), 6140-6155 (2005)