CAS 79444-78-3

6-Benzofuranacetonitrile

Description:

6-Benzofuranacetonitrile, identified by its CAS number 79444-78-3, is an organic compound characterized by the presence of a benzofuran moiety attached to an acetonitrile group. This compound typically exhibits a white to off-white crystalline appearance. It is known for its potential applications in organic synthesis and medicinal chemistry, particularly as an intermediate in the production of various pharmaceuticals. The structure of 6-benzofuranacetonitrile includes a fused benzene and furan ring, contributing to its unique chemical properties, such as its reactivity and solubility in organic solvents. The presence of the nitrile functional group (-C≡N) imparts polar characteristics, influencing its interactions in chemical reactions. Additionally, this compound may exhibit biological activity, making it of interest in drug discovery and development. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken due to potential toxicity or reactivity.

Formula: C₁₀H₇NO

InChI: InChI=1S/C10H7NO/c11-5-3-8-1-2-9-4-6-12-10(9)7-8/h1-2,4,6-7H,3H2

InChI key: InChIKey=JKPFJRDAYNHDLT-UHFFFAOYSA-N

SMILES: C(C#N)C=1C=C2C(=CC1)C=CO2

Synonyms:

• 2-(1-Benzofuran-6-yl)acetonitrile
• 6-Benzofuranacetonitrile