CAS 898767-82-3

2-Chloro-η-oxobenzeneoctanenitrile

Description:

2-Chloro-η-oxobenzeneoctanenitrile, identified by its CAS number 898767-82-3, is a chemical compound that features a chloro group and a nitrile functional group, which contribute to its reactivity and potential applications in organic synthesis. The presence of the chloro substituent indicates that it may participate in nucleophilic substitution reactions, while the nitrile group can serve as a versatile functional group in various chemical transformations, including hydrolysis and reduction. The compound's structure suggests it may exhibit hydrophobic characteristics due to the long octane chain, which can influence its solubility and interaction with biological systems. Additionally, the aromatic ring may provide stability and contribute to the compound's electronic properties. Overall, 2-Chloro-η-oxobenzeneoctanenitrile is likely to be of interest in fields such as medicinal chemistry, materials science, and agrochemicals, where its unique functional groups can be exploited for the development of new compounds or materials.

Formula: C₁₄H₁₆ClNO

InChI: InChI=1S/C14H16ClNO/c15-13-9-6-5-8-12(13)14(17)10-4-2-1-3-7-11-16/h5-6,8-9H,1-4,7,10H2

InChI key: InChIKey=ZAWYFKCQHWQSGP-UHFFFAOYSA-N

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

Synonyms:

• 2-Chloro-η-oxobenzeneoctanenitrile
• Benzeneoctanenitrile, 2-chloro-η-oxo-