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

  • CAS No. 16681-82-6

  • Cat. No. CS-0139189
  • Purity≥97%
  • MDL No.None

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

5-Bromo-1-methyl-1H-1,2,3-triazole|CS-0139189

Structure of 16681-82-6

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General Information

  • CAS No. 16681-82-6
  • Cat. No. CS-0139189
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₄BrN₃
  • Molecular Weight 161.99
  • Synonym(s) 5-bromo-1-methyltriazole
  • SMILES BrC1=CN=NN1C

Description

5-Bromo-1-methyl-1H-1,2,3-triazole features a brominated triazole core with a methyl group at the 1-position, enabling direct functionalization in click chemistry applications. This bench-stable heterocycle integrates readily into bioconjugation workflows and serves as a key building block for targeted molecular probes and pharmaceutical intermediates.

Application

5-Bromo-1-methyl-1H-1,2,3-triazole serves as a versatile building block in medicinal chemistry and cross-coupling reactions. Its bromine atom enables palladium-catalyzed transformations, while the methylated triazole ring offers enhanced stability and solubility. The compound facilitates efficient C–X bond formation and is compatible with a range of functional groups, making it well-suited for modular synthesis of heterocyclic scaffolds and bioactive molecules.

Synthesis

  • Route1

    References

    • Ohta, Shunsaku; Kawasaki, Ikuo; Uemura, Takahiro; Yamashita, Masayuki; Yoshioka, Tomomichi; Yamaguchi, Satoshi Chemical and Pharmaceutical Bulletin, 1997 , vol. 45, # 7 p. 1140 - 1145
  • Route2
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      186581-53-3
    • null|null
      506-68-3
    • ~%
    • In-stock
      5-Bromo-1-methyl-1H-1,2,3-triazole|CS-0139189
      16681-82-6

    References

    • Pedersen Acta Chemica Scandinavica (1947-1973), 1959 , vol. 13, p. 888,890
  • Route3
    • null|null
      186581-53-3
    • null|null
      60-29-7
    • null|null
      506-68-3
    • ~%
    • In-stock
      4-Bromo-1-methyl-1H-1,2,3-triazole|CS-W009000
      13273-53-5
    • In-stock
      4-Bromo-2-methyl-2H-1,2,3-triazole|CS-0035798
      16681-67-7
    • In-stock
      5-Bromo-1-methyl-1H-1,2,3-triazole|CS-0139189
      16681-82-6
    • null|null
      590-17-0

    References

    • Pedersen Acta Chemica Scandinavica (1947-1973), 1959 , vol. 13, p. 888,890

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   30.71
  • LogP   0.5776
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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