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CS-W001157 4
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5-Bromo-4-methyl-1H-1,2,3-triazole

  • CAS No. 805315-83-7

  • Cat. No. CS-0036082
  • Purity≥98%
  • MDL No.None

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

5-Bromo-4-methyl-1H-1,2,3-triazole|CS-0036082

Structure of 805315-83-7

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General Information

  • CAS No. 805315-83-7
  • Cat. No. CS-0036082
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₄BrN₃
  • Molecular Weight 161.99
  • Synonym(s) 4-bromo-5-methyl-2H-1,2,3-triazole
  • SMILES CC1=C(Br)NN=N1

Description

5-Bromo-4-methyl-1H-1,2,3-triazole is a bench-stable heterocyclic building block featuring a bromine atom at the 5-position and a methyl group at the 4-position. This electronic and steric profile enables efficient coupling in transition-metal-catalyzed reactions, facilitating rapid access to complex triazole architectures in medicinal chemistry and materials science applications.

Application

5-Bromo-4-methyl-1H-1,2,3-triazole serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The bromo group enables palladium-catalyzed cross-coupling reactions, while the methyl substituent enhances stability and modulates electronic properties. This compound functions reliably in standard coupling protocols, offering high yield and ease of purification, making it well-suited for constructing complex triazole-containing scaffolds in API development and materials science.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   0.87562
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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