532703

1-Bromo-4-chloro-2-fluorobenzene

98%

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

Properties

• 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

Description

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.[1] 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.[2]

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: 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)