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549029

Sigma-Aldrich

3-Bromo-5-fluorobenzotrifluoride

97%

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About This Item

Linear Formula:
BrC6H3(F)CF3
CAS Number:
130723-13-6
Molecular Weight:
243.00
MDL number:
MFCD00042498
UNSPSC Code:
12352100
PubChem Substance ID:
24878956
NACRES:
NA.22

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

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 Code

12 - Non Combustible Liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)

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