CAS 872018-06-9

4-Cyano-2-ethylbenzoic acid

Description:

4-Cyano-2-ethylbenzoic acid is an organic compound characterized by its benzoic acid structure, which includes a cyano group (-CN) and an ethyl group (-C2H5) attached to the aromatic ring. The presence of the cyano group contributes to its potential as a versatile building block in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. This compound typically exhibits moderate solubility in polar solvents due to the carboxylic acid functional group, while its aromatic nature may enhance its stability and reactivity in various chemical reactions. The compound's melting and boiling points, as well as its reactivity, can be influenced by the substituents on the benzene ring. Additionally, 4-Cyano-2-ethylbenzoic acid may participate in various chemical reactions, including esterification and amidation, making it useful in synthetic organic chemistry. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₀H₉NO₂

InChI: InChI=1S/C10H9NO2/c1-2-8-5-7(6-11)3-4-9(8)10(12)13/h3-5H,2H2,1H3,(H,12,13)

InChI key: InChIKey=VFBIHKPMKUJORE-UHFFFAOYSA-N

SMILES: C(C)C1=C(C(O)=O)C=CC(C#N)=C1

Synonyms:

• 4-Cyano-2-ethylbenzoic acid
• Benzoic acid, 4-cyano-2-ethyl-