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

  • CAS No. 135206-76-7

  • Cat. No. CS-0375280
  • Purity≥96%
  • MDL No.MFCD09701417

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

3-(Chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride|CS-0375280

Structure of 135206-76-7

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General Information

  • CAS No. 135206-76-7
  • Cat. No. CS-0375280
  • Purity ≥96%
  • MDL No. MFCD09701417
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₇Cl₂N₃
  • Molecular Weight 168.03
  • Synonym(s) 3-CHLOROMETHYL-1-METHYL-1H-[1,2,4]TRIAZOLE
  • SMILES CN1N=C(CCl)N=C1.[H]Cl

Description

This chloromethyl-substituted triazole hydrochloride delivers a reactive handle for nucleophilic functionalization, enabling efficient conjugation in bioconjugate chemistry and medicinal discovery. The quaternary nitrogen enhances solubility and stability under standard conditions, while the chloromethyl group facilitates site-specific derivatization.

Application

3-(Chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride serves as a versatile electrophilic building block for the synthesis of triazolyl alkyl derivatives. The chloromethyl group enables efficient nucleophilic substitution reactions, facilitating the construction of bioactive heterocyclic scaffolds. Its bench-stable solid form and high functional group tolerance make it well-suited for iterative coupling strategies in medicinal chemistry and process development workflows.

Safety Information

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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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