CAS 103440-56-8

Methyl 2-iodo-4-methylbenzoate

Description:

Methyl 2-iodo-4-methylbenzoate, with the CAS number 103440-56-8, is an organic compound belonging to the class of benzoates. It features a methyl ester functional group, which is derived from benzoic acid, and contains an iodine atom at the 2-position and a methyl group at the 4-position of the aromatic ring. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is characterized by its moderate polarity due to the presence of the ester group, which influences its solubility in organic solvents. Methyl 2-iodo-4-methylbenzoate is often used in organic synthesis as an intermediate for the preparation of various pharmaceuticals and agrochemicals. Its reactivity is enhanced by the presence of the iodine atom, making it a useful building block in nucleophilic substitution reactions. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure.

Formula: C₉H₉IO₂

InChI: InChI=1S/C9H9IO2/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5H,1-2H3

InChI key: InChIKey=QNAIWGOSUXHUKY-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-iodo-4-methyl-, methyl ester
• p-Toluic acid, 2-iodo-, methyl ester
• Methyl 2-iodo-4-methylbenzoate