CAS 121859-58-3

5,6-Dichloro-1H-indole-3-acetonitrile

Description:

5,6-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 5 and 6 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, such as solubility and stability, can be influenced by the presence of the chlorine substituents and the nitrile group. Additionally, the compound's molecular structure suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.

Formula: C₁₀H₆Cl₂N₂

InChI: InChI=1S/C10H6Cl2N2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3-5,14H,1H2

InChI key: InChIKey=VGTFXLWYNMMFEV-UHFFFAOYSA-N

SMILES: C(C#N)C=1C=2C(=CC(Cl)=C(Cl)C2)NC1

Synonyms:

• 5,6-Dichloro-1H-indole-3-acetonitrile
• 2-(5,6-Dichloro-1H-indol-3-yl)acetonitrile
• 1H-Indole-3-acetonitrile, 5,6-dichloro-