CAS 70978-58-4

4-Hydroxy-3-(1-oxopropyl)benzonitrile

Description:

4-Hydroxy-3-(1-oxopropyl)benzonitrile, with the CAS number 70978-58-4, is an organic compound characterized by its aromatic structure, which includes a hydroxyl group (-OH) and a nitrile group (-C≡N) attached to a benzene ring. The presence of the 1-oxopropyl substituent indicates that there is a ketone functional group linked to a propyl chain, contributing to its reactivity and potential applications in organic synthesis. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its functional groups suggest potential uses in pharmaceuticals, agrochemicals, or as intermediates in chemical synthesis. The hydroxyl group can participate in hydrogen bonding, influencing its physical properties such as melting point and boiling point. Additionally, the nitrile group can engage in various chemical reactions, making this compound versatile in synthetic chemistry. Safety data should be consulted for handling, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₀H₉NO₂

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

InChI key: InChIKey=YOHWFBHNUDASPE-UHFFFAOYSA-N

SMILES: C(CC)(=O)C1=CC(C#N)=CC=C1O

Synonyms:

• 4-Hydroxy-3-(1-oxopropyl)benzonitrile
• Benzonitrile, 4-hydroxy-3-(1-oxopropyl)-