CAS 104447-92-9

Methyl 4-(bromomethyl)-3-methylbenzoate

Description:

Methyl 4-(bromomethyl)-3-methylbenzoate, with the CAS number 104447-92-9, is an organic compound that belongs to the class of benzoates. It features a methyl ester functional group, which contributes to its reactivity and solubility properties. The presence of a bromomethyl group indicates that it can participate in nucleophilic substitution reactions, making it a useful intermediate in organic synthesis. The compound is characterized by its aromatic structure, which includes a methyl group and a bromomethyl substituent on the benzene ring, influencing its physical and chemical properties such as boiling point, melting point, and solubility in various solvents. Typically, compounds like this are utilized in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Safety data sheets should be consulted for handling and storage guidelines, as halogenated compounds can pose environmental and health risks. Overall, Methyl 4-(bromomethyl)-3-methylbenzoate is a versatile compound with significant applications in chemical synthesis.

Formula: C₁₀H₁₁BrO₂

InChI: InChI=1S/C10H11BrO2/c1-7-5-8(10(12)13-2)3-4-9(7)6-11/h3-5H,6H2,1-2H3

InChI key: InChIKey=TYMBXXFYOJPBDM-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC(C)=C(CBr)C=C1

Synonyms:

• Methyl 4-(bromomethyl)-3-methylbenzoate
• Benzoic acid, 4-(bromomethyl)-3-methyl-, methyl ester