CAS 1262417-97-9

Methyl 3-fluoro-2-iodo-6-methylbenzoate

Description:

Methyl 3-fluoro-2-iodo-6-methylbenzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety with various substituents. The presence of a methyl group, a fluoro group, and an iodo group on the benzene ring contributes to its unique chemical properties and reactivity. This compound is likely to exhibit moderate polarity due to the electronegative halogen atoms, influencing its solubility in organic solvents. The iodo substituent can enhance the compound's reactivity in nucleophilic substitution reactions, while the fluoro group may affect its electronic properties and steric hindrance. Methyl 3-fluoro-2-iodo-6-methylbenzoate may also serve as an intermediate in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. Its specific characteristics, such as melting point, boiling point, and spectral data, would typically be determined through experimental methods. Safety data should be consulted to understand its handling and potential hazards, as halogenated compounds can pose environmental and health risks.

Formula: C₉H₈FIO₂

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

InChI key: InChIKey=ZJSUHJFLNWZMBJ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(I)C(F)=CC=C1C

Synonyms:

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

Methyl 3-fluoro-2-iodo-6-methylbenzoate

CAS: 1262417-97-9

Versatile small molecule scaffold

Formula: C₉H₈FIO₂

Purity: Min. 95%

Molecular weight: 294.06 g/mol

Ref: 3D-MAC41797