CAS 1149379-04-3

Benzoic acid, 6-fluoro-3-iodo-2-methyl-, methyl ester

Description:

Benzoic acid, 6-fluoro-3-iodo-2-methyl-, methyl ester, identified by the CAS number 1149379-04-3, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a benzene ring substituted with a fluoro group at the 6-position, an iodo group at the 3-position, and a methyl group at the 2-position, contributing to its unique chemical properties. The presence of halogen substituents (fluorine and iodine) can significantly influence the compound's reactivity, polarity, and solubility. As an ester, it is likely to exhibit typical ester characteristics, such as being less acidic than the corresponding carboxylic acid and having potential applications in organic synthesis and as a flavoring or fragrance agent. The molecular structure suggests that it may also participate in various chemical reactions, including nucleophilic substitutions and hydrolysis. Overall, this compound's specific properties and applications would depend on its detailed molecular interactions and the context of its use in chemical processes.

Formula: C₉H₈FIO₂

InChI: InChI=1S/C9H8FIO2/c1-5-7(11)4-3-6(10)8(5)9(12)13-2/h3-4H,1-2H3

InChI key: InChIKey=NYDCIEIYYLSXAT-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(C)C(I)=CC=C1F

Synonyms:

• Benzoic acid, 6-fluoro-3-iodo-2-methyl-, methyl ester
• 6-Fluoro-3-iodo-2-methylbenzoic acid methyl ester
• Methyl 6-fluoro-3-iodo-2-methylbenzoate