4-Bromo-2-methylbenzoyl chloride

CAS: 21900-45-8

Ref. 3D-FB161081

Product Information

• Name: 4-Bromo-2-methylbenzoyl chloride

Description

4-Bromo-2-methylbenzoyl chloride (4BMBC) is a brominated heterocyclic compound that belongs to the class of substituted benzene. The crystal structure of 4BMBC has been determined by x-ray diffraction methods and the results have been analyzed using quantum chemistry methods. The optimized geometry of 4BMBC is composed of two molecules, which are connected by a single bond at one side and by a double bond at the other side. 4BMBC is an organic fluorine containing molecule with a molecular weight of 150.5 g/mol. It has been shown to have conformational flexibility in solution due to its C-F bonds, which allow it to form hydrogen bonds with water molecules in polar solvents such as methanol and ethanol.

• Brand: Biosynth

Chemical properties

• Molecular weight: 233.49 g/mol
• Formula: C₈H₆BrClO
• Purity: Min. 95%
• InChI: InChI=1S/C8H6BrClO/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3
• InChI key: InChIKey=JFRRHWPXPJGZLY-UHFFFAOYSA-N
• SMILES: Cc1cc(Br)ccc1C(=O)Cl