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About This Item
Linear Formula:
BrC6H3(Cl)F
CAS Number:
Molecular Weight:
209.44
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
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.)
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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