3-Amino-1H-1,2,4-triazole-5-carboxylic acid

Basic Information

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CAS Number

3641-13-2

Molecular Formula

C3H4N4O2

Molecular Weight

128.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

178-182 ºC

Boiling Point

562.4°C at 760 mmHg

Density

1.856

Flash Point

293.9 °C

SMILES

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Nc1nc(n[nH]1)C(=O)O

InChI

InChI=1S/C3H4N4O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H3,4,5,6,7)

InChIKey

MVRGLMCHDCMPKD-UHFFFAOYSA-N

LogP

-0.9149000000000003

Topological Polar Surface Area

104.89 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

127

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-Amino-4H-1,2,4-triazole-3-carboxylic acid
5-Amino-2H-1,2,4-triazole-3-carboxylic acid
3-Amino-1,2,4-triazole-5-carboxylic Acid Hemihydrate
3-Amino-1,2,4-triazole-5-carboxylic acid
1H-5-Amino-1,2,4-trazole-3-caboxylic acid
3-Amino-1,2,4-triazole-5-carboxylic acid
3-Amino-1H-1,2,4-triazole-5-carboxylic acid
5-Amino-2H-[1,2,4]triazole-3-carboxylic acid
2-Amino-5-carboxy-1,3,4-triazole
3-AMino-1H-1
3-amino-2H-1,2,4-triazole-5-carboxylic acid
3-Amino-5-carboxy-1H-1,2,4-triazole
4-triazole-3-carboxylicacid,5-amino-1h-2
4-triazole-5-carboxylic acid
5-amino-1,2,4-triazole-3-carboxylic acid
5-Carboxy-2-amino-1,
5-Amino-1H-1,2,4-triazole-3-carboxylic acid
1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-
N0Z8Y9VGO0
MVRGLMCHDCMPKD-UHFFFAOYSA-N
s-Triazole-3-carboxylic acid, 5-amino-
5-Amino-1H-[1,2,4]triazole-3-carboxylic acid
1H-1,4-Triazole-3-carboxylic acid, 5-amino-

MDL Number

MFCD00010620

Customs Code

2933990090

FAQ

What is 3-Amino-1H-1,2,4-triazole-5-carboxylic acid (CAS: 3641-13-2)?

3-Amino-1H-1,2,4-triazole-5-carboxylic acid (CAS: 3641-13-2) is a heterocyclic organic compound containing a triazole ring and both amino and carboxylic acid functional groups. Its chemical formula is C3H5N4O2, and it exhibits moderate solubility in water. This compound is notable for its stability and reactivity in chemical synthesis, making it a valuable intermediate in various applications.

What are the main uses of 3-Amino-1H-1,2,4-triazole-5-carboxylic acid (CAS: 3641-13-2)?

3-Amino-1H-1,2,4-triazole-5-carboxylic acid (CAS: 3641-13-2) is widely used in pharmaceuticals for developing antifungal and antiviral agents. It also serves as an industrial chemical in the production of dyes, agrochemicals, and polymers. In research, it acts as a versatile building block for synthesizing derivatives with applications in drug discovery and material science.

Is 3-Amino-1H-1,2,4-triazole-5-carboxylic acid (CAS: 3641-13-2) safe?

3-Amino-1H-1,2,4-triazole-5-carboxylic acid (CAS: 3641-13-2) is generally considered safe when handled properly. However, it may cause mild irritation to skin or eyes upon contact. Safety guidelines recommend using personal protective equipment (PPE) like gloves and goggles, and working in a well-ventilated area. Compliance with OSHA standards ensures safe usage in laboratories and industrial settings.

How should 3-Amino-1H-1,2,4-triazole-5-carboxylic acid (CAS: 3641-13-2) be stored?

3-Amino-1H-1,2,4-triazole-5-carboxylic acid (CAS: 3641-13-2) should be stored in a sealed container in a cool, dry place (2-8°C) away from light. It is stable under normal conditions but should be protected from moisture and air to prevent degradation. Avoid storage near incompatible substances and ensure proper labeling for safety.