CAS 898767-78-7

2-Chloro-ε-oxobenzenehexanenitrile

Description:

2-Chloro-ε-oxobenzenehexanenitrile, identified by its CAS number 898767-78-7, is a chemical compound that features a chloro substituent, a nitrile group, and an oxo functional group within its structure. This compound is characterized by its aromatic benzene ring, which contributes to its stability and potential reactivity. The presence of the chloro group indicates that it may participate in nucleophilic substitution reactions, while the nitrile group suggests potential applications in organic synthesis and as a building block for more complex molecules. The oxo group (carbonyl) can influence the compound's reactivity, particularly in condensation reactions. Overall, 2-Chloro-ε-oxobenzenehexanenitrile is likely to exhibit moderate polarity due to the presence of both polar and nonpolar functional groups, affecting its solubility in various solvents. Its unique structure may also impart specific biological or chemical properties, making it of interest in fields such as pharmaceuticals, agrochemicals, or materials science. However, detailed studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₂H₁₂ClNO

InChI: InChI=1S/C12H12ClNO/c13-11-7-4-3-6-10(11)12(15)8-2-1-5-9-14/h3-4,6-7H,1-2,5,8H2

InChI key: InChIKey=FTMNNIPBDCQARI-UHFFFAOYSA-N

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

Synonyms:

• 2-Chloro-ε-oxobenzenehexanenitrile
• Benzenehexanenitrile, 2-chloro-ε-oxo-