CAS 1261776-08-2

5-Chloro-2-(difluoromethoxy)benzonitrile

Description:

5-Chloro-2-(difluoromethoxy)benzonitrile is an organic compound characterized by its aromatic structure, which includes a chlorinated benzene ring and a nitrile functional group. The presence of the difluoromethoxy group introduces significant polarity and influences the compound's reactivity and solubility. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its molecular structure suggests potential applications in pharmaceuticals or agrochemicals, particularly due to the presence of the nitrile group, which can participate in various chemical reactions. The chlorine and difluoromethoxy substituents can enhance biological activity or modify the compound's interaction with biological targets. Additionally, the compound's properties, such as melting point, boiling point, and solubility, would be influenced by the specific arrangement of its substituents and the overall molecular geometry. Safety data and handling precautions should be considered, as halogenated compounds can pose environmental and health risks.

Formula: C₈H₄ClF₂NO

InChI: InChI=1S/C8H4ClF2NO/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-3,8H

InChI key: InChIKey=AUGTWCJVDKQPQS-UHFFFAOYSA-N

SMILES: O(C(F)F)C1=C(C#N)C=C(Cl)C=C1

Synonyms:

• 5-Chloro-2-(difluoromethoxy)benzonitrile
• Benzonitrile, 5-chloro-2-(difluoromethoxy)-