3H-1,2,4-Triazol-3-one

Basic Information

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CAS Number

42131-33-9

Molecular Formula

C2HN3O

Molecular Weight

83.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

235-237 ºC

SMILES

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C1=NC(=O)N=N1

InChI

InChI=1S/C2HN3O/c6-2-3-1-4-5-2/h1H

InChIKey

MDTUWBLTRPRXBX-UHFFFAOYSA-N

LogP

0.6005

Topological Polar Surface Area

54.15 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

125

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AKOS003193940
3H-1,2,4-Triazol-3-one
A825778
42131-33-9
1,2,4-Triazol-5-One
dihydro-3h-1,2,4-triazol-3-one
MFCD01446029
5XUN2LH5NF
C2HN3O
UNII-5XUN2LH5NF
4045-72-1
1,2,4-triazol-3-one
FT-0653661
MDTUWBLTRPRXBX-UHFFFAOYSA-N
1,2,4-Triazol- 5-One

MDL Number

MFCD01446029

Customs Code

2933990090

FAQ

What is 3H-1,2,4-Triazol-3-one (CAS: 42131-33-9)?

3H-1,2,4-Triazol-3-one is an organic compound with the chemical formula C3H3N3O. It is a heterocyclic compound belonging to the triazole class. This compound is characterized by its aromatic and nitrogen-based structure. It is used in pharmaceuticals, industrial research, and as a reagent in chemical synthesis.

What are the main uses of 3H-1,2,4-Triazol-3-one (CAS: 42131-33-9)?

3H-1,2,4-Triazol-3-one is widely used in the pharmaceutical industry for the synthesis of various drugs. It also finds applications in industrial research and as a reagent in organic synthesis. Its versatility makes it a valuable compound in chemical laboratories and manufacturing processes.

Is 3H-1,2,4-Triazol-3-one (CAS: 42131-33-9) safe?

3H-1,2,4-Triazol-3-one is generally safe when used as directed. However, it is important to follow all safety guidelines and use appropriate personal protective equipment (PPE) such as gloves and goggles. Exposure to high concentrations should be avoided, and proper ventilation is recommended during handling.

How should 3H-1,2,4-Triazol-3-one (CAS: 42131-33-9) be stored?

3H-1,2,4-Triazol-3-one should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Avoid storing it in environments with high humidity or temperatures above 25°C (77°F) to maintain its stability and safety.