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

Name: 1H-1,2,3-Triazole-4,5-dicarboxylic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 4546-95-6
Cat. No. CS-0018654
Purity≥95%
MDL No.MFCD00005246

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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

Structure of 4546-95-6

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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.

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

Computational Chemistry Data

TPSA 116.17
LogP -0.7989
H_Acceptors 4
H_Donors 3
Rotatable_Bonds 2

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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Key Words

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

CAS No. 4546-95-6

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