CAS 70931-60-1

4-Fluoro-2-iodobenzeneacetonitrile

Description:

4-Fluoro-2-iodobenzeneacetonitrile, with the CAS number 70931-60-1, is an organic compound characterized by the presence of both fluorine and iodine substituents on a benzene ring, along with a nitrile functional group. This compound typically exhibits a molecular structure that includes a benzene ring substituted at the para position with a fluorine atom and at the meta position with an iodine atom, linked to an acetonitrile group. The presence of these halogens can influence the compound's reactivity, polarity, and overall chemical behavior, making it of interest in various synthetic applications, particularly in medicinal chemistry and materials science. The nitrile group contributes to its potential as a building block in organic synthesis, allowing for further functionalization. Additionally, the compound's physical properties, such as solubility and boiling point, are influenced by the halogen substituents and the nitrile group, which can affect its utility in different chemical reactions and processes. Safety data should be consulted for handling and storage, as halogenated compounds can pose specific health and environmental risks.

Formula: C₈H₅FIN

InChI: InChI=1S/C8H5FIN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2

InChI key: InChIKey=YKARYCZNSIRPKO-UHFFFAOYSA-N

SMILES: C(C#N)C1=C(I)C=C(F)C=C1

Synonyms:

• (4-Fluoro-2-iodophenyl)acetonitrile
• 4-Fluoro-2-iodobenzeneacetonitrile
• 2-(4-Fluoro-2-iodophenyl)acetonitrile
• Benzeneacetonitrile, 4-fluoro-2-iodo-