CAS 1262418-06-3

Methyl 2-cyano-3-fluoro-6-methylbenzoate

Description:

Methyl 2-cyano-3-fluoro-6-methylbenzoate is an organic compound characterized by its functional groups and structural features. It contains a benzoate moiety, which is an ester derived from benzoic acid, and is substituted with a cyano group (-CN) and a fluorine atom (-F) at specific positions on the aromatic ring. The presence of the cyano group contributes to its potential reactivity and polarity, while the fluorine atom can influence its electronic properties and stability. The methyl group enhances its hydrophobic character. This compound may exhibit interesting biological or chemical properties due to its unique structure, making it of interest in fields such as medicinal chemistry or materials science. Its CAS number, 1262418-06-3, allows for easy identification and reference in chemical databases. As with many organic compounds, its physical properties, such as solubility, boiling point, and melting point, would depend on the specific interactions between its functional groups and the surrounding environment.

Formula: C₁₀H₈FNO₂

InChI: InChI=1S/C10H8FNO2/c1-6-3-4-8(11)7(5-12)9(6)10(13)14-2/h3-4H,1-2H3

InChI key: InChIKey=NZYNXSONRQKRIN-UHFFFAOYSA-N

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

Synonyms:

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