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CS-W001157 4
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5-(Chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride

  • CAS No. 104256-69-1

  • Cat. No. CS-0076498
  • Molecule weight168.02
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

5-(Chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride|CS-0076498

Structure of 104256-69-1

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General Information

  • CAS No. 104256-69-1
  • Cat. No. CS-0076498
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₇Cl₂N₃
  • Molecular Weight 168.02
  • Synonym(s) 5-Chloromethyl-1-methyl-1H-[1,2,4]triazole hydrochloride
  • SMILES CN1C(CCl)=NC=N1.Cl

Description

This chloromethyl-functionalized triazole derivative features a reactive electrophilic side chain ideal for nucleophilic substitution reactions. The methylated triazole core enhances stability and solubility, while the hydrochloride salt form ensures improved handling and storage. Suitable for bioconjugation and medicinal chemistry applications requiring site-specific derivatization.

Application

5-(Chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride serves as a versatile building block for the synthesis of triazolyl-containing pharmaceutical intermediates and bioactive heterocycles. The chloromethyl group enables efficient nucleophilic substitution reactions, facilitating the construction of C–C and C–heteroatom bonds under mild conditions. Its stability in common organic solvents and compatibility with diverse functional groups make it well-suited for iterative synthetic sequences in medicinal chemistry and process development workflows.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P233-P261-P270-P280-P302+P352-P304+P340-P405-P501

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Computational Chemistry Data

  • TPSA   30.71
  • LogP   0.9757
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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