CAS 1803592-05-3

1H-1,2,4-Triazole, 5-(chloromethyl)-3-(1,1-dimethylethyl)-, hydrochloride (1:1)

Description:

1H-1,2,4-Triazole, 5-(chloromethyl)-3-(1,1-dimethylethyl)-, hydrochloride (1:1) is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a chloromethyl group and a tert-butyl group, contributing to its unique reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in biological systems. The compound may exhibit biological activity, making it of interest for research in medicinal chemistry. Its molecular structure allows for interactions with biological targets, potentially influencing enzyme activity or receptor binding. Safety data should be consulted for handling and usage, as the presence of chlorine and nitrogen may impart specific hazards. Overall, this compound represents a class of triazole derivatives that are valuable in synthetic chemistry and drug development.

Formula: C₇H₁₂ClN₃·ClH

InChI: InChI=1S/C7H12ClN3.ClH/c1-7(2,3)6-9-5(4-8)10-11-6;/h4H2,1-3H3,(H,9,10,11);1H

InChI key: InChIKey=YEQLIHFCCLMOIK-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1NC(CCl)=NN1.Cl

Synonyms:

• 1H-1,2,4-Triazole, 5-(chloromethyl)-3-(1,1-dimethylethyl)-, hydrochloride (1:1)

5-tert-Butyl-3-(chloromethyl)-1H-1,2,4-triazole hydrochloride

CAS: 1803592-05-3

Versatile small molecule scaffold

Formula: C₇H₁₃Cl₂N₃

Purity: Min. 95%

Molecular weight: 210.1 g/mol

Ref: 3D-DXC59205