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532703

1-Bromo-4-chloro-2-fluorobenzene

98%

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About This Item

Linear Formula:
BrC6H3(Cl)F
CAS Number:
1996-29-8
Molecular Weight:
209.44
NACRES:
NA.22
PubChem Substance ID:
24877906
UNSPSC Code:
12352100
MDL number:
MFCD00079708
Assay:
98%
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assay

98%

refractive index

n20/D 1.556 (lit.)

bp

91-92 °C/20 mmHg (lit.)

density

1.678 g/mL at 25 °C (lit.)

functional group

fluoro

SMILES string

Fc1cc(Cl)ccc1Br

InChI

1S/C6H3BrClF/c7-5-2-1-4(8)3-6(5)9/h1-3H

InChI key

FPNVMCMDWZNTEU-UHFFFAOYSA-N

General description

1-Bromo-4-chloro-2-fluorobenzene is a polyhalo substituted benzene. It undergoes Suzuki coupling with 2-cyanoarylboronic esters to form the corresponding biphenyls. These biphenyls are the precursors for synthesizing 6-substituted phenanthridines.† The enthalpy of vaporization at boiling point (467.15K) of 1-bromo-4-chloro-2-fluorobenzene is 40.737kjoule/mol.{4}

Application

1-Bromo-4-chloro-2-fluorobenzene may be used in the preparation of benzonorbornadiene derivative. It may also be used as a starting material in the multi-step synthesis of AZD3264, an IKK2 (inhibitor of nuclear factor κ-B kinase-2) inhibitor.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

198.0 °F - closed cup

flash_point_c

92.2 °C - closed cup

ppe

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

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