CAS 83101-13-7

3-(3-Hydroxypropyl)benzonitrile

Description:

3-(3-Hydroxypropyl)benzonitrile, with the CAS number 83101-13-7, is an organic compound characterized by the presence of a benzonitrile moiety substituted with a 3-hydroxypropyl group. This compound features a benzene ring attached to a nitrile group (–C≡N) and a hydroxyl group (–OH) on a propyl chain, which contributes to its unique chemical properties. It is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. The presence of the hydroxyl group enhances its solubility in polar solvents and may impart some degree of reactivity, particularly in hydrogen bonding and nucleophilic reactions. Additionally, the nitrile group can participate in various chemical transformations, making this compound potentially useful in organic synthesis and pharmaceutical applications. Its physical properties, such as boiling point and melting point, can vary based on the molecular structure and intermolecular interactions. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₁₀H₁₁NO

InChI: InChI=1S/C10H11NO/c11-8-10-4-1-3-9(7-10)5-2-6-12/h1,3-4,7,12H,2,5-6H2

InChI key: InChIKey=UTSJPOCSHJYKBT-UHFFFAOYSA-N

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

Synonyms:

• 3-(3-Hydroxypropyl)benzonitrile
• 3-(3-Cyanophenyl)-1-propanol
• Benzonitrile, 3-(3-hydroxypropyl)-
• 3-(3-Hydroxypropyl)benzonitrile
• 3-(3-Hydroxy-1-propyl)benzonitrile
• 3-(3-Hydroxy-1-propyl)benzonitrile