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CS-W001157 4
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1H-1,2,3-Triazole-4,5-dicarboxylic acid

  • CAS No. 4546-95-6

  • Cat. No. CS-0018654
  • Molecule weight157.09
  • Purity≥95%
  • MDL No.MFCD00005246

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

1H-1,2,3-Triazole-4,5-dicarboxylic acid|CS-0018654

Structure of 4546-95-6

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General Information

  • CAS No. 4546-95-6
  • Cat. No. CS-0018654
  • Purity ≥95%
  • MDL No. MFCD00005246
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃N₃O₄
  • Molecular Weight 157.09
  • Synonym(s) v-Triazole-4,5-dicarboxylic acid; 1,2,3-Triazole-4,5-Dicarboxylicacid
  • SMILES O=C(O)C=1N=NNC1C(=O)O

Description

1H-1,2,3-Triazole-4,5-dicarboxylic acid features a rigid triazole core flanked by two carboxylic acid groups, enabling robust coordination in metal-organic frameworks. This polar, bench-stable scaffold integrates readily into functional materials and serves as a key building block for bioconjugation and supramolecular chemistry.

Application

1H-1,2,3-Triazole-4,5-dicarboxylic acid serves as a versatile building block in medicinal chemistry and materials science, enabling efficient construction of triazolyl-containing heterocycles via click chemistry and other standard transformations. Its dual carboxylic acid functionality enhances solubility and facilitates conjugation or metal coordination, while the triazole ring provides metabolic stability and hydrogen-bonding capacity. The compound exhibits good bench stability and is compatible with common purification methods, making it well-suited for iterative synthesis workflows and high-throughput screening applications.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   116.17
  • LogP   -0.7989
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   2

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