CAS 898767-86-7

4-Iodo-ε-oxobenzenehexanenitrile

Description:

4-Iodo-ε-oxobenzenehexanenitrile, identified by its CAS number 898767-86-7, is a chemical compound characterized by its unique molecular structure, which includes an iodine atom, a nitrile functional group, and a benzene ring. The presence of the iodine atom typically imparts specific reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The nitrile group (-C≡N) is known for its polar character and can participate in further chemical transformations, such as hydrolysis or reduction. The compound's structure suggests it may exhibit interesting physical properties, such as solubility in organic solvents and potential applications in organic synthesis or materials science. Additionally, the presence of the oxo group (carbonyl) indicates that it may have reactivity associated with carbonyl compounds, which can be utilized in various synthetic pathways. Overall, 4-Iodo-ε-oxobenzenehexanenitrile is a versatile compound that could be of interest in research and industrial applications, particularly in the fields of organic chemistry and pharmaceuticals.

Formula: C₁₂H₁₂INO

InChI: InChI=1S/C12H12INO/c13-11-7-5-10(6-8-11)12(15)4-2-1-3-9-14/h5-8H,1-4H2

InChI key: InChIKey=AXSQHUIESCYNHQ-UHFFFAOYSA-N

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

Synonyms:

• 4-Iodo-ε-oxobenzenehexanenitrile
• Benzenehexanenitrile, 4-iodo-ε-oxo-