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7-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole

  • CAS No. 1519248-16-8

  • Cat. No. CS-0129643
  • Purity≥97%
  • MDL No.None

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

7-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole|CS-0129643

Structure of 1519248-16-8

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General Information

  • CAS No. 1519248-16-8
  • Cat. No. CS-0129643
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrN₃
  • Molecular Weight 212.05
  • Synonym(s) None
  • SMILES CN1N=NC2=CC=CC(Br)=C21

Description

7-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole delivers a brominated triazole scaffold with enhanced electrophilicity at the 7-position, enabling direct coupling in palladium-catalyzed cross-coupling reactions. The methyl group stabilizes the heterocycle and improves solubility in common organic solvents. This bench-stable reagent integrates efficiently into complex molecular architectures under standard conditions.

Application

7-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole serves as a versatile building block in medicinal chemistry, enabling direct incorporation of bromine and methyl-substituted triazole functionalities into complex scaffolds. Its bench-stable nature and compatibility with palladium-catalyzed cross-coupling reactions facilitate efficient C–C bond formation. The triazole core provides hydrogen-bonding capacity and metabolic stability, while the bromine atom offers a reliable handle for further diversification via Suzuki, Stille, or Negishi coupling.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   30.71
  • LogP   1.7308
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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