CAS 731772-74-0

Benzonitrile, 4-(2-chloro-2-propen-1-yl)-

Description:

Benzonitrile, 4-(2-chloro-2-propen-1-yl)-, also known by its CAS number 731772-74-0, is an organic compound characterized by the presence of a benzonitrile moiety substituted with a 2-chloro-2-propen-1-yl group. This compound typically exhibits a colorless to pale yellow liquid form and has a distinctive aromatic odor. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic nature. The presence of the nitrile functional group (-C≡N) contributes to its reactivity, making it useful in various chemical syntheses and applications, including as an intermediate in organic synthesis. Additionally, the chloropropenyl substituent can participate in electrophilic reactions, enhancing its utility in synthetic chemistry. Safety considerations should be taken into account, as it may pose health risks if inhaled or ingested, and appropriate handling procedures should be followed. Overall, this compound is of interest in both industrial and research settings for its unique chemical properties.

Formula: C₁₀H₈ClN

InChI: InChI=1S/C10H8ClN/c1-8(11)6-9-2-4-10(7-12)5-3-9/h2-5H,1,6H2

InChI key: InChIKey=DTKIMQLEKYNICM-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 4-(2-chloro-2-propen-1-yl)-
• Benzonitrile, 4-(2-chloro-2-propenyl)-