CAS 88474-32-2

5-Chloro-1H-1,2,3-triazole-4-carbonitrile

Description:

5-Chloro-1H-1,2,3-triazole-4-carbonitrile is a heterocyclic compound characterized by its triazole ring, which consists of three nitrogen atoms and two carbon atoms. This compound features a chlorine substituent at the 5-position and a cyano group (-C≡N) at the 4-position of the triazole ring, contributing to its chemical reactivity and potential applications. It is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. The presence of both the chlorine atom and the cyano group enhances its utility in various chemical reactions, including nucleophilic substitutions and cycloadditions. This compound is of interest in medicinal chemistry and materials science due to its potential biological activity and ability to form coordination complexes. Additionally, its unique structure allows for the exploration of various derivatives, which can lead to the development of new pharmaceuticals or agrochemicals. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₃HClN₄

InChI: InChI=1S/C3HClN4/c4-3-2(1-5)6-8-7-3/h(H,6,7,8)

InChI key: InChIKey=FXURSNQKZJOZMH-UHFFFAOYSA-N

SMILES: C(#N)C1=C(Cl)N=NN1

Synonyms:

• 1H-1,2,3-Triazole-4-carbonitrile, 5-chloro-
• 5-Chloro-1H-1,2,3-triazole-4-carbonitrile

5-Chloro-1H-[1,2,3]triazole-4-carbonitrile

CAS: 88474-32-2

Formula: C₃HClN₄

Color and Shape: Solid

Molecular weight: 128.52

Ref: 10-F025527

5-Chloro-1H-[1,2,3]triazole-4-carbonitrile

CAS: 88474-32-2

5-Chloro-1H-[1,2,3]triazole-4-carbonitrile is a chemical compound that can be prepared by reacting ethyl orthoformate with an acetal of ethylene. This chemical compound has the formula CHClN and can be described by three isomers, namely 5-chloro-1H-[1,2,3]triazole-4-carbonitrile, 5-chloro[1,2,3]-triazole-4-carbonitrile and 5-[1,2,3]-triazole-4-carbonitrile. It has been used in the synthesis of ethylene acetals as well as in alkylation reactions to produce ethyl orthoformates. The reaction product of this chemical compound with methyl iodide produces acetaldehyde dimethylacetal. This chemical compound also reacts with diethylzinc to form methyl azide and diethyl ether.

Formula: C₃HClN₄

Purity: Min. 95%

Molecular weight: 128.52 g/mol

Ref: 3D-NDA47432