CAS 1533441-20-1

Benzoic acid, 5-cyano-4-fluoro-2-methyl-, methyl ester

Description:

Benzoic acid, 5-cyano-4-fluoro-2-methyl-, methyl ester, identified by its CAS number 1533441-20-1, is an organic compound characterized by the presence of a benzoic acid core modified with a cyano group, a fluorine atom, and a methyl ester functional group. This compound typically exhibits a crystalline solid form and is soluble in organic solvents, reflecting its hydrophobic characteristics due to the aromatic structure. The cyano group contributes to its potential reactivity, while the fluorine atom can influence its electronic properties and stability. The methyl ester functionality suggests that it may undergo hydrolysis to yield benzoic acid and methanol under appropriate conditions. This compound may find applications in organic synthesis, pharmaceuticals, or as an intermediate in the production of other chemical entities. Its specific properties, such as melting point, boiling point, and reactivity, would depend on the molecular interactions and the presence of substituents, which can significantly affect its behavior in various chemical environments.

Formula: C₁₀H₈FNO₂

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

InChI key: InChIKey=CVUAECXAUDUOOT-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 5-cyano-4-fluoro-2-methyl-, methyl ester
• Methyl 5-cyano-4-fluoro-2-methylbenzoate

Methyl 5-cyano-4-fluoro-2-methylbenzoate

CAS: 1533441-20-1

Methyl 5-cyano-4-fluoro-2-methylbenzoate

Purity: 98%

Molecular weight: 193.17g/mol

Ref: 54-PC103757

Methyl 5-cyano-4-fluoro-2-methylbenzoate

CAS: 1533441-20-1

Purity: 98%

Molecular weight: 193.177002

Ref: 10-F785591