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

CAS No. 23814-12-2
Cat. No. CS-W019369
Purity≥98%
MDL No.MFCD00012318

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

Structure of 23814-12-2

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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.

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

Computational Chemistry Data

TPSA 78.87
LogP 0.6561
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 1

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

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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

CAS No. 23814-12-2

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