CAS 1261758-49-9

2-Amino-5-iodobenzeneacetonitrile

Description:

2-Amino-5-iodobenzeneacetonitrile, with the CAS number 1261758-49-9, is an organic compound characterized by the presence of an amino group, an iodine atom, and a nitrile functional group attached to a benzene ring. This compound features a benzene ring substituted at the 5-position with an iodine atom and at the 2-position with an amino group, along with an acetonitrile group (-C≡N) that contributes to its reactivity and potential applications in organic synthesis. The presence of the amino group makes it a potential candidate for further functionalization, while the iodine atom can serve as a leaving group in nucleophilic substitution reactions. The nitrile group imparts polarity to the molecule, influencing its solubility and reactivity. Overall, 2-Amino-5-iodobenzeneacetonitrile is of interest in medicinal chemistry and materials science, where it may be utilized in the synthesis of various pharmaceuticals and agrochemicals. Its specific physical and chemical properties, such as melting point, boiling point, and solubility, would need to be determined through experimental methods.

Formula: C₈H₇IN₂

InChI: InChI=1S/C8H7IN2/c9-7-1-2-8(11)6(5-7)3-4-10/h1-2,5H,3,11H2

InChI key: InChIKey=RQMRWCACCRIQLK-UHFFFAOYSA-N

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

Synonyms:

• 2-(2-Amino-5-iodophenyl)acetonitrile
• 2-Amino-5-iodobenzeneacetonitrile
• Benzeneacetonitrile, 2-amino-5-iodo-
• (2-Amino-5-iodophenyl)acetonitrile