3-Bromo-5-fluorobenzoic acid

CAS: 176548-70-2

Ref. 3D-FB37837

Product Information

• Name: 3-Bromo-5-fluorobenzoic acid
• Synonyms: 5-Bromo-3-Fluorobenzoic Acid, 3-Bromo-5-Fluorobenzoic Acid, Buttpark 24\01-97, 5-Bromo-3-Fluorobenzoic Acid 3-Fluoro-5-Bromobenzoic Acid, 3-Bromo-5-fluorobenzoic, 3-Bromo-5-fluorobenzoic acid 98%, 5-Fluoro-3-Bromobenzoic Acid, 3-Bromo-5-Fluorobenzoate, 3-Fluoro-5-Methoxybenzoic Acid

Description

3-Bromo-5-fluorobenzoic acid (3BBFA) is a chemical compound that has both conformational and crystal x-ray diffraction properties. The molecule's molecular orbitals have been analyzed using the theory of quantum mechanics. In addition, 3BBFA has been found to be biologically active in several studies, including one which determined its function as an inhibitor of the enzyme catechol O-methyltransferase. 3BBFA also has a molecular electrostatic potential that can be analyzed by computations in order to predict its physicochemical properties. This chemical is used as a pharmaceutical intermediate for other compounds such as bromfenac and diclofenac potassium.

• Brand: Biosynth

Chemical properties

• Molecular weight: 219.01 g/mol
• Formula: C₇H₄BrFO₂
• Purity: Min. 95%
• InChI: InChI=1S/C7H4BrFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
• InChI key: InChIKey=KLSLJMGWUPAQGZ-UHFFFAOYSA-N
• SMILES: O=C(O)c1cc(F)cc(Br)c1