CAS 84102-90-9

6-Cyano-2-benzofurancarboxylic acid

Description:

6-Cyano-2-benzofurancarboxylic acid is an organic compound characterized by its unique structure, which combines a benzofuran moiety with a cyano group and a carboxylic acid functional group. This compound typically appears as a solid and is soluble in polar organic solvents. Its molecular structure contributes to its potential applications in various fields, including pharmaceuticals and agrochemicals, due to its ability to participate in chemical reactions such as nucleophilic substitutions and cycloadditions. The presence of the cyano group enhances its reactivity, making it a valuable intermediate in synthetic organic chemistry. Additionally, the carboxylic acid functionality can engage in hydrogen bonding, influencing its solubility and reactivity. The compound's properties, such as melting point, boiling point, and spectral characteristics, can vary based on purity and environmental conditions. As with many organic compounds, safety precautions should be observed when handling 6-Cyano-2-benzofurancarboxylic acid, as it may pose health risks if ingested or inhaled.

Formula: C₁₀H₅NO₃

InChI: InChI=1S/C10H5NO3/c11-5-6-1-2-7-4-9(10(12)13)14-8(7)3-6/h1-4H,(H,12,13)

InChI key: InChIKey=PPVQUKHVACZSBZ-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1OC=2C(C1)=CC=C(C#N)C2

Synonyms:

• 6-Cyano-2-benzofurancarboxylic acid
• 2-Benzofurancarboxylic acid, 6-cyano-