CAS 746651-80-9

Ethyl 4-(4-bromobenzoyl)benzoate

Description:

Ethyl 4-(4-bromobenzoyl)benzoate, with the CAS number 746651-80-9, is an organic compound characterized by its ester functional group and aromatic structure. It features a benzoyl moiety substituted with a bromine atom at the para position, which enhances its reactivity and potential applications in organic synthesis. The ethyl ester group contributes to its solubility in organic solvents, making it useful in various chemical reactions. This compound is typically a white to off-white solid, and its melting point and boiling point can vary based on purity and specific conditions. Ethyl 4-(4-bromobenzoyl)benzoate may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of new drugs or agrochemicals. Its synthesis often involves acylation reactions, and it can serve as an intermediate in the preparation of more complex organic molecules. Safety data should be consulted for handling, as halogenated compounds can pose health risks.

Formula: C₁₆H₁₃BrO₃

InChI: InChI=1S/C16H13BrO3/c1-2-20-16(19)13-5-3-11(4-6-13)15(18)12-7-9-14(17)10-8-12/h3-10H,2H2,1H3

InChI key: InChIKey=CDVFBVANGWWSME-UHFFFAOYSA-N

SMILES: C(=O)(C1=CC=C(C(OCC)=O)C=C1)C2=CC=C(Br)C=C2

Synonyms:

• Ethyl 4-(4-bromobenzoyl)benzoate
• 4-(4-Bromobenzoyl)benzoic acid ethyl ester
• Benzoic acid, 4-(4-bromobenzoyl)-, ethyl ester