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CS-W001157 4
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1H-Benzo[d][1,2,3]triazole-5-carboxylic acid

  • CAS No. 23814-12-2

  • Cat. No. CS-W019369
  • Purity≥98%
  • MDL No.MFCD00012318

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

1H-Benzo[d][1,2,3]triazole-5-carboxylic acid|CS-W019369

Structure of 23814-12-2

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General Information

  • CAS No. 23814-12-2
  • Cat. No. CS-W019369
  • Purity ≥98%
  • MDL No. MFCD00012318
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅N₃O₂
  • Molecular Weight 163.13
  • Synonym(s) 5-Carboxybenzotriazole
  • SMILES O=C(C1=CC=C(NN=N2)C2=C1)O

Description

Benzotriazole-5-carboxylic acid was used as bifunctional ligand in solvent induced synthesis of diverse dimensional coordination assemblies of cupric benzotriazole-5-carboxylate. It was also used in hydrothermal synthesis of new coordination polymer, [Zn(Btca)(Phen)]n (H2Btca = benzotriazole-5-carboxylic acid, Phen = 1,10-phenanthroline).

Application

1H-Benzo[d][1,2,3]triazole-5-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient construction of triazolyl scaffolds in medicinal chemistry and materials science. The carboxylic acid group facilitates direct coupling reactions, while the fused aromatic triazole core provides excellent stability and orthogonal reactivity. Its bench-stable, crystalline nature simplifies handling and purification, making it well-suited for scalable synthesis and derivatization workflows.

Synthesis

  • Route1

    References

    • BIOENERGENIX Patent: US2012/277224 A1, 2012 ; Location in patent: Page/Page column 43 ; US 20120277224 A1
  • Route2
    • null|null
      411211-57-9
    • ~%
    • In-stock
      1H-Benzo[d][1,2,3]triazole-5-carboxylic acid|CS-W019369
      23814-12-2

    References

    • Chemische Berichte, , vol. 15, p. 1882
  • Route3
    • null|null
      305-80-6
    • ~%
    • In-stock
      1H-Benzo[d][1,2,3]triazole-5-carboxylic acid|CS-W019369
      23814-12-2

    References

    • Chemische Berichte, , vol. 15, p. 2189

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   78.87
  • LogP   0.6561
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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