CAS 1053658-45-9

3-(4-Chloro-1,3,5-triazin-2-yl)benzonitrile

Description:

3-(4-Chloro-1,3,5-triazin-2-yl)benzonitrile is a chemical compound characterized by its triazine and nitrile functional groups. It features a triazine ring, which is a six-membered heterocyclic structure containing three nitrogen atoms and three carbon atoms, contributing to its stability and reactivity. The presence of the chloro substituent enhances its electrophilic properties, making it useful in various chemical reactions. The benzonitrile moiety indicates that it has a phenyl group attached to a nitrile (–C≡N) functional group, which can influence its solubility and polarity. This compound is often utilized in agrochemical applications, particularly as a herbicide or in the development of other biologically active molecules. Its unique structure allows for potential interactions with biological targets, making it of interest in medicinal chemistry as well. Safety and handling precautions should be observed due to its potential toxicity and environmental impact, typical of many compounds containing halogens and nitriles.

Formula: C₁₀H₅ClN₄

InChI: InChI=1S/C10H5ClN4/c11-10-14-6-13-9(15-10)8-3-1-2-7(4-8)5-12/h1-4,6H

InChI key: InChIKey=KVKDIYDWYOVTSD-UHFFFAOYSA-N

SMILES: C(#N)C=1C=C(C=CC1)C=2N=C(Cl)N=CN2

Synonyms:

• 3-(4-Chloro-1,3,5-triazin-2-yl)benzonitrile
• Benzonitrile, 3-(4-chloro-1,3,5-triazin-2-yl)-

3-(4-Chloro-[1,3,5]triazin-2-yl)-benzonitrile

CAS: 1053658-45-9

Formula: C₁₀H₅ClN₄

Purity: 95.0%

Color and Shape: Solid

Molecular weight: 216.63

Ref: 10-F316556