CAS 898767-58-3

3-Cyano-γ-oxobenzenebutanenitrile

Description:

3-Cyano-γ-oxobenzenebutanenitrile, identified by its CAS number 898767-58-3, is a chemical compound that features a cyano group (-CN) and a ketone functional group within its structure. This compound typically exhibits characteristics common to nitriles, such as high polarity and the ability to participate in various chemical reactions, including nucleophilic additions. The presence of the aromatic benzene ring contributes to its stability and can influence its reactivity and solubility in organic solvents. The compound may be utilized in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its potential as an intermediate in various chemical reactions. Additionally, its unique structure may impart specific biological activities, making it of interest in medicinal chemistry. As with many nitriles, it is important to handle this compound with care, as it may pose health risks if inhaled or ingested, and appropriate safety measures should be observed during its use in laboratory settings.

Formula: C₁₁H₈N₂O

InChI: InChI=1/C11H8N2O/c12-6-2-5-11(14)10-4-1-3-9(7-10)8-13/h1,3-4,7H,2,5H2

InChI key: InChIKey=SDPJAKLACDFQBS-UHFFFAOYSA-N

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

Synonyms:

• 3-Cyano-γ-oxobenzenebutanenitrile
• Benzenebutanenitrile, 3-cyano-γ-oxo-