CAS 898767-97-0

7-(3-iodophenyl)-7-oxo-heptanenitrile

Description:

7-(3-Iodophenyl)-7-oxo-heptanenitrile is a chemical compound characterized by its unique structure, which includes a heptane backbone with a ketone functional group and a nitrile group. The presence of the 3-iodophenyl substituent introduces significant polarity and potential for various chemical interactions, making it a compound of interest in medicinal chemistry and organic synthesis. The nitrile group contributes to its reactivity, allowing for potential transformations in synthetic pathways. This compound may exhibit specific physical properties such as solubility in organic solvents and varying melting or boiling points, influenced by its molecular structure and substituents. Additionally, the iodine atom can impart unique electronic properties, potentially affecting the compound's biological activity. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity associated with iodine-containing compounds. Overall, 7-(3-iodophenyl)-7-oxo-heptanenitrile represents a versatile structure for further exploration in chemical research and applications.

Formula: C₁₃H₁₄INO

InChI: InChI=1/C13H14INO/c14-12-7-5-6-11(10-12)13(16)8-3-1-2-4-9-15/h5-7,10H,1-4,8H2

SMILES: C(CCC#N)CCC(=O)c1cccc(c1)I

Synonyms:

• 7-(3-IODOPHENYL)-7-OXOHEPTANENITRILE
• Carbotinib malate
• Benzeneheptanenitrile, 3-iodo-ζ-oxo-