CAS 85020-88-8

5-Nitro-2-[(phenylmethyl)amino]benzonitrile

Description:

5-Nitro-2-[(phenylmethyl)amino]benzonitrile, with the CAS number 85020-88-8, is an organic compound characterized by its complex structure, which includes a nitro group, an amino group, and a benzonitrile moiety. This compound typically appears as a solid and is known for its potential applications in medicinal chemistry and as an intermediate in organic synthesis. The presence of the nitro group contributes to its electron-withdrawing properties, which can influence its reactivity and interactions with biological systems. The phenylmethylamino group enhances its lipophilicity, potentially affecting its solubility and permeability in biological membranes. Additionally, the compound may exhibit various biological activities, making it of interest for pharmaceutical research. Its synthesis and handling require careful consideration of safety protocols due to the presence of the nitro group, which can be sensitive to reduction reactions. Overall, 5-Nitro-2-[(phenylmethyl)amino]benzonitrile is a notable compound in the field of organic chemistry with diverse applications.

Formula: C₁₄H₁₁N₃O₂

InChI: InChI=1S/C14H11N3O2/c15-9-12-8-13(17(18)19)6-7-14(12)16-10-11-4-2-1-3-5-11/h1-8,16H,10H2

InChI key: InChIKey=PQBGADRPVXUZIG-UHFFFAOYSA-N

SMILES: N(CC1=CC=CC=C1)C2=C(C#N)C=C(N(=O)=O)C=C2

Synonyms:

• 5-Nitro-2-[(phenylmethyl)amino]benzonitrile
• Benzonitrile, 5-Nitro-2-[(Phenylmethyl)Amino]-
• 2-(Benzylamino)-5-nitrobenzonitrile