CAS 1227502-51-3

4,5-Dichloro-1H-indole-3-acetonitrile

Description:

4,5-Dichloro-1H-indole-3-acetonitrile is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. The presence of two chlorine atoms at the 4 and 5 positions of the indole ring contributes to its reactivity and potential biological activity. The acetonitrile functional group at the 3 position introduces a nitrile group, which can participate in various chemical reactions, including nucleophilic additions and substitutions. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its properties include moderate solubility in organic solvents and potential toxicity, necessitating careful handling. As with many halogenated compounds, it may exhibit unique electronic properties and reactivity patterns, making it of interest in medicinal chemistry and material science. Safety data sheets should be consulted for specific handling and toxicity information.

Formula: C₁₀H₆Cl₂N₂

InChI: InChI=1S/C10H6Cl2N2/c11-7-1-2-8-9(10(7)12)6(3-4-13)5-14-8/h1-2,5,14H,3H2

InChI key: InChIKey=KFHSGFYYOLCKPI-UHFFFAOYSA-N

SMILES: C(C#N)C=1C=2C(NC1)=CC=C(Cl)C2Cl

Synonyms:

• 1H-Indole-3-acetonitrile, 4,5-dichloro-
• 4,5-Dichloro-1H-indole-3-acetonitrile