CAS 96994-72-8

3-Chloro-4-(dimethylamino)benzonitrile

Description:

3-Chloro-4-(dimethylamino)benzonitrile, with the CAS number 96994-72-8, is an organic compound characterized by its aromatic structure, which includes a chlorinated benzene ring and a nitrile functional group. The presence of the dimethylamino group enhances its electron-donating properties, making it a potential candidate for various chemical reactions and applications. This compound typically appears as a solid at room temperature and is soluble in organic solvents. Its chlorinated nature may impart specific reactivity, allowing it to participate in nucleophilic substitution reactions. Additionally, the nitrile group contributes to its polarity and can influence its interactions in biological systems. Due to these characteristics, 3-Chloro-4-(dimethylamino)benzonitrile may be utilized in the synthesis of dyes, pharmaceuticals, or agrochemicals. However, as with many chemical substances, safety precautions should be observed when handling it, as it may pose health risks or environmental hazards. Proper storage and disposal methods are essential to mitigate any potential risks associated with its use.

Formula: C₉H₉ClN₂

InChI: InChI=1S/C9H9ClN2/c1-12(2)9-4-3-7(6-11)5-8(9)10/h3-5H,1-2H3

InChI key: InChIKey=HTFPOJVCSIZACZ-UHFFFAOYSA-N

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

Synonyms:

• 3-Chloro-4-(dimethylamino)benzonitrile
• Benzonitrile, 3-chloro-4-(dimethylamino)-