3-Amino-1H-pyrazol-5(4H)-one

Basic Information

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CAS Number

6126-22-3

Molecular Formula

C3H5N3O

Molecular Weight

99.09 g/mol

EINECS

228-095-6

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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

214 °C (dec.)

Boiling Point

185.55°C (rough estimate)

Density

1.3131 (rough estimate)

Refractive Index

1.4500 (estimate)

SMILES

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O=C1CC(N)=NN1

InChI

InChI=1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H2,(H2,4,5)(H,6,7)

InChIKey

UELIBMUMKLRTKJ-UHFFFAOYSA-N

LogP

-1.2215000000000003

pKa

12.37±0.40(Predicted)

Topological Polar Surface Area

67.48 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

128

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

LABOTEST-BB LT00080762
5-HYDROXY-3-AMINOPYRAZOLE
3-amino-2-pyrazolin-5-one
5-AMINOPYRAZOL-3-OL
5-AMINO-3-PYRAZOLOL
5-AMINO-3-PYRAZOLONE
5-AMINO-3-HYDROXYPYRAZOLE
5-AMINO-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
3-Amino-1H-pyrazol-5(4H)-one
3-Amino-5-hydroxypyrazole
3-Amino-5-hydroxy-1H-pyrazole
3-Amino-5-pyrazolone
3-AMINO-1H-PYRAZOL-5-OL
3-amino-5-oxo-4,5-dihydropyrazole
3-amino-5-oxopyrazoline
3-amino-5-pyrazolinone
3-amino-pyrazol-2-en-5-one
3-aminopyrazolin-5-one
5-amino-1,2-dihydro-pyrazol-3-one
5-Amino-2,4-dihydro-3H-pyrazol-3-one
5-Hydroxy-3-aminopyrazole
3-Amino-2-pyrazolin-5-one
5-Amino-2,3-dihydro-1H-pyrazol-3-one
5-Amino-3-pyrazolol
3-Amino-1H-pyrazol-5-ol

MDL Number

MFCD00233932

EC Number

228-095-6

Customs Code

29331990

FAQ

What are the physical and chemical properties of 3-Amino-1H-pyrazol-5(4H)-one (CAS: 6126-22-3)?

3-Amino-1H-pyrazol-5(4H)-one is a crystalline solid with a molecular weight of approximately 132.13 g/mol. It is slightly soluble in water and sparingly soluble in ethanol. It reacts with acids and bases, and is known to form stable complexes with metal ions. The compound has a melting point of 228-230 °C and is stable under normal conditions.

How is 3-Amino-1H-pyrazol-5(4H)-one (CAS: 6126-22-3) typically synthesized?

3-Amino-1H-pyrazol-5(4H)-one is commonly synthesized via the condensation of 3-formylpyrazole with ammonia in the presence of a catalyst such as potassium hydroxide. The reaction is carried out in an aqueous medium and yields a product with high purity. The method is selective and provides a yield of around 70-80%.

What industries use 3-Amino-1H-pyrazol-5(4H)-one (CAS: 6126-22-3)?

3-Amino-1H-pyrazol-5(4H)-one is used in various industries. It serves as a precursor in the synthesis of pharmaceuticals, where it is used to create intermediates for drug development. In the polymer industry, it is used as a monomer for the production of functionalized polymers. Additionally, it finds applications in the development of sensors due to its chemical reactivity and in the semiconductor industry for its electronic properties.

What precautions should be taken when handling 3-Amino-1H-pyrazol-5(4H)-one (CAS: 6126-22-3)?

When handling 3-Amino-1H-pyrazol-5(4H)-one, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The substance should be handled in a well-ventilated area or a fume hood. In case of spillage, it is recommended to use appropriate spill cleanup materials and avoid inhaling the dust or fumes. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.