CAS 99500-37-5

Benzoic acid, 4-(bromomethyl)-2-chloro-, ethyl ester

Description:

Benzoic acid, 4-(bromomethyl)-2-chloro-, ethyl ester, identified by the CAS number 99500-37-5, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a bromomethyl group and a chloro substituent on the aromatic ring, contributing to its reactivity and potential applications in organic synthesis. Typically, esters like this one are known for their pleasant odors and are often used in flavoring and fragrance industries. The presence of halogen atoms (bromine and chlorine) can enhance the compound's biological activity and influence its solubility in various solvents. In terms of physical properties, esters generally exhibit moderate boiling points and are often less polar than their corresponding acids, which can affect their behavior in chemical reactions. Additionally, the compound may have applications in pharmaceuticals, agrochemicals, or as intermediates in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as halogenated compounds can pose specific health and environmental risks.

Formula: C₁₀H₁₀BrClO₂

InChI: InChI=1S/C10H10BrClO2/c1-2-14-10(13)8-4-3-7(6-11)5-9(8)12/h3-5H,2,6H2,1H3

InChI key: InChIKey=DOHXFRYIQIXACC-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(Cl)C=C(CBr)C=C1

Synonyms:

• Benzoic acid, 4-(bromomethyl)-2-chloro-, ethyl ester
• Ethyl 4-(bromomethyl)-2-chlorobenzoate