CAS 1261581-00-3

5-Chloro-2-iodobenzeneacetonitrile

Description:

5-Chloro-2-iodobenzeneacetonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with both chlorine and iodine atoms, as well as a nitrile functional group. The presence of the chloro and iodo substituents indicates that this compound may exhibit unique reactivity patterns, particularly in nucleophilic substitution reactions. The nitrile group (-C≡N) contributes to the compound's polarity and can influence its solubility in various solvents. This compound is typically used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its potential as an intermediate in various chemical reactions. Its molecular structure suggests that it may participate in electrophilic aromatic substitution and other reactions typical of halogenated aromatic compounds. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, 5-Chloro-2-iodobenzeneacetonitrile is a valuable compound in chemical synthesis with specific characteristics that make it useful in various applications.

Formula: C₈H₅ClIN

InChI: InChI=1S/C8H5ClIN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2

InChI key: InChIKey=NJZMPGYZDPEFIQ-UHFFFAOYSA-N

SMILES: C(C#N)C1=C(I)C=CC(Cl)=C1

Synonyms:

• 2-(5-Chloro-2-iodophenyl)acetonitrile
• Benzeneacetonitrile, 5-chloro-2-iodo-
• 5-Chloro-2-iodobenzeneacetonitrile