CAS 898767-74-3

3-Chloro-η-oxobenzeneoctanenitrile

Description:

3-Chloro-η-oxobenzeneoctanenitrile, identified by its CAS number 898767-74-3, is a chemical compound that features a complex structure combining elements of both aromatic and aliphatic chemistry. The presence of a chloro group indicates that it is a chlorinated compound, which can influence its reactivity and solubility. The "η-oxo" designation suggests the presence of a carbonyl group (C=O) within the benzene ring, which can enhance its electrophilic character. The octanenitrile portion indicates a long aliphatic chain terminated by a nitrile group (–C≡N), contributing to its potential applications in organic synthesis and materials science. This compound may exhibit unique physical properties such as specific melting and boiling points, and its reactivity can be influenced by the functional groups present. Additionally, the presence of both aromatic and aliphatic components may allow for diverse interactions in biological systems or industrial applications. As with many chlorinated compounds, safety and handling precautions are essential due to potential toxicity and environmental impact.

Formula: C₁₄H₁₆ClNO

InChI: InChI=1S/C14H16ClNO/c15-13-8-6-7-12(11-13)14(17)9-4-2-1-3-5-10-16/h6-8,11H,1-5,9H2

InChI key: InChIKey=DALIDCNFUSVLHI-UHFFFAOYSA-N

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

Synonyms:

• Benzeneoctanenitrile, 3-chloro-η-oxo-
• 3-Chloro-η-oxobenzeneoctanenitrile