CAS 773874-01-4

Methyl 6-chloro-2-fluoro-3-methylbenzoate

Description:

Methyl 6-chloro-2-fluoro-3-methylbenzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety. This compound features a methyl ester functional group, contributing to its solubility in organic solvents. The presence of chlorine and fluorine substituents on the benzene ring introduces unique electronic and steric properties, potentially influencing its reactivity and interactions in chemical reactions. The chlorine atom typically enhances the compound's electrophilicity, while the fluorine atom can affect its polarity and hydrogen bonding capabilities. Methyl 6-chloro-2-fluoro-3-methylbenzoate may be utilized in various applications, including as an intermediate in the synthesis of pharmaceuticals or agrochemicals. Its specific characteristics, such as boiling point, melting point, and density, would depend on the molecular interactions and the overall structure. Safety data should be consulted for handling and storage, as halogenated compounds can exhibit varying degrees of toxicity and environmental impact.

Formula: C₉H₈ClFO₂

InChI: InChI=1S/C9H8ClFO2/c1-5-3-4-6(10)7(8(5)11)9(12)13-2/h3-4H,1-2H3

InChI key: InChIKey=VXDIXEDJOQRPBZ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(F)C(C)=CC=C1Cl

Synonyms:

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