1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid

Basic Information

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CAS Number

76003-76-4

Molecular Formula

C10H9N3O2

Molecular Weight

217.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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COC(=O)c1cn(Cc2ccccc2)nn1

InChI

InChI=1S/C10H9N3O2/c14-10(15)9-7-13(12-11-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)

InChIKey

MIGIDQCWBSDLTO-UHFFFAOYSA-N

LogP

1.113

Topological Polar Surface Area

57.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-BENZYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID
methyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate

MDL Number

MFCD03084464

FAQ

What is 1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid (CAS: 76003-76-4)?

1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid (CAS: 76003-76-4) is an organic compound with the molecular formula C11H12N4O2. It is a derivative of triazole with a benzyl substituent. This compound has a faint aromatic odor and is used in various applications including pharmaceuticals, research, and industry.

What are the main uses of 1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid (CAS: 76003-76-4)?

1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid (CAS: 76003-76-4) is primarily used as a key intermediate in the synthesis of pharmaceuticals, particularly antifungal and antiviral drugs. It is also utilized in research for its biological activity and in industrial applications for its stabilizing properties.

Is 1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid (CAS: 76003-76-4) safe?

1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid (CAS: 76003-76-4) is generally safe when handled with appropriate precautions. It is important to avoid contact with eyes, skin, and inhalation. Use appropriate personal protective equipment such as gloves, goggles, and a lab coat. Ensure proper ventilation and store in a cool, dry place away from direct sunlight and heat sources.

How should 1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid (CAS: 76003-76-4) be stored?

1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid (CAS: 76003-76-4) should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. Maintain a temperature below 25°C and a relative humidity of less than 60%. Avoid exposure to moisture and ensure good ventilation to prevent degradation.