CAS 898767-94-7

3-Iodo-δ-oxobenzenepentanenitrile

Description:

3-Iodo-δ-oxobenzenepentanenitrile, identified by its CAS number 898767-94-7, is a chemical compound that features a complex structure incorporating both an iodo substituent and a nitrile functional group. The presence of the iodo group suggests that it may exhibit unique reactivity patterns, particularly in nucleophilic substitution reactions. The δ-oxobenzene moiety indicates that the compound contains a benzene ring with a ketone functional group, which can influence its electronic properties and reactivity. The pentanenitrile portion of the molecule indicates a five-carbon chain terminating in a nitrile group, which is known for its polar character and ability to participate in various chemical reactions, including hydrolysis and reduction. Overall, this compound may be of interest in synthetic organic chemistry and medicinal chemistry due to its potential applications in drug development and material science. However, specific physical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₁₁H₁₀INO

InChI: InChI=1S/C11H10INO/c12-10-5-3-4-9(8-10)11(14)6-1-2-7-13/h3-5,8H,1-2,6H2

InChI key: InChIKey=MCFPGDNZAWKIMX-UHFFFAOYSA-N

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

Synonyms:

• Benzenepentanenitrile, 3-iodo-δ-oxo-
• 3-Iodo-δ-oxobenzenepentanenitrile