3-(Phenylmethyl)-1H-1,2,4-triazole-5-carboxylic acid

Name: 3-(Phenylmethyl)-1H-1,2,4-triazole-5-carboxylic acid
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CAS No. 107469-72-7
Cat. No. CS-0021660
Purity≥97%
MDL No.None

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3-(Phenylmethyl)-1H-1,2,4-triazole-5-carboxylic acid|CS-0021660

Structure of 107469-72-7

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General Information

CAS No. 107469-72-7
Cat. No. CS-0021660
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉N₃O₂
Molecular Weight 203.20
Synonym(s) 5-Benzyl-1,2,4-triazolidine-3-carboxylic acid
SMILES O=C(C1=NN=C(CC2=CC=CC=C2)N1)O

Description

This triazole carboxylic acid integrates a benzyl-substituted triazole core with a pendant carboxylate, enabling direct conjugation in bioconjugation workflows. The scaffold exhibits enhanced solubility and stability under standard conditions, facilitating efficient coupling to biomolecules and functional materials.

Application

3-(Phenylmethyl)-1H-1,2,4-triazole-5-carboxylic acid serves as a versatile building block for bioactive heterocycles, enabling efficient access to triazole-based scaffolds in medicinal chemistry. Its carboxylic acid functionality facilitates direct amidation, esterification, and coupling reactions under standard conditions. The benzyl group enhances solubility and provides a handle for further functionalization, while the triazole core exhibits good bench stability and compatibility with diverse reaction environments.

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 78.87
LogP 1.0937
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-(Phenylmethyl)-1H-1,2,4-triazole-5-carboxylic acid

CAS No. 107469-72-7

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