CAS 940062-12-4

2-(Aminomethyl)-5-chlorobenzonitrile

Description:

2-(Aminomethyl)-5-chlorobenzonitrile, with the CAS number 940062-12-4, is an organic compound characterized by its structural features, which include a chlorobenzene ring substituted with both an amino group and a nitrile group. The presence of the amino group (-NH2) indicates that it can participate in various chemical reactions, such as nucleophilic substitutions and coupling reactions, making it a valuable intermediate in organic synthesis. The nitrile group (-C≡N) contributes to the compound's polarity and can influence its solubility in polar solvents. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its chlorinated aromatic structure may impart specific reactivity patterns, particularly in electrophilic aromatic substitution reactions. Additionally, the compound's potential applications could span pharmaceuticals, agrochemicals, or materials science, depending on its reactivity and functionalization. Safety data should be consulted for handling, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₈H₇ClN₂

InChI: InChI=1S/C8H7ClN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H,4,10H2

InChI key: InChIKey=AQQGSWIPNMTWEZ-UHFFFAOYSA-N

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

Synonyms:

• 2-(Aminomethyl)-5-chlorobenzonitrile
• Benzonitrile, 2-(aminomethyl)-5-chloro-