CAS 898766-78-4

2-Bromo-η-oxobenzeneoctanenitrile

Description:

2-Bromo-η-oxobenzeneoctanenitrile, identified by its CAS number 898766-78-4, is a chemical compound that features a bromine atom, a nitrile group, and a phenolic structure. This compound is characterized by its unique combination of functional groups, which can influence its reactivity and properties. The presence of the bromine atom typically enhances electrophilic substitution reactions, while the nitrile group contributes to the compound's polarity and potential for hydrogen bonding. The phenolic structure suggests that it may exhibit antioxidant properties, and the octane chain can impart hydrophobic characteristics, affecting its solubility in various solvents. Additionally, the compound may be of interest in synthetic organic chemistry for its potential applications in pharmaceuticals, agrochemicals, or as an intermediate in the synthesis of more complex molecules. Its stability, reactivity, and specific applications would depend on the conditions under which it is used, including temperature, solvent, and the presence of other reagents.

Formula: C₁₄H₁₆BrNO

InChI: InChI=1S/C14H16BrNO/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=VTGRNHRDODNSAZ-UHFFFAOYSA-N

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

Synonyms:

• 2-Bromo-η-oxobenzeneoctanenitrile
• Benzeneoctanenitrile, 2-bromo-η-oxo-