1-phenyl-1H-pyrazol-5(4H)-one

Basic Information

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CAS Number

876-92-6

Molecular Formula

C9H8N2O

Molecular Weight

160.18 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

118 ºC

Boiling Point

261.8±23.0 ºC (760 Torr),

Density

1.20±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

112.1±22.6 ºC,

SMILES

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C1C=NN(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C9H8N2O/c12-9-6-7-10-11(9)8-4-2-1-3-5-8/h1-5,7H,6H2

InChIKey

FTCOWMWIZNVSPP-UHFFFAOYSA-N

LogP

1.4090999999999998

Topological Polar Surface Area

32.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

207

Synonyms & References

English

2-phenyl-2H-pyrazole-3(4H)-one
2-phenyl-4H-pyrazol-3-one
2,4-dihydro-2-phenyl-3H-pyrazol-3-one
phenyl-2-pyrazolin-5-one
3H-Pyrazol-3-one, 2,4-dihydro-2-phenyl-
SCHEMBL181548
1-phenyl-1H-pyrazol-5(4H)-one
2-phenyl-2,4-dihydro-3h-pyrazol-3-one
DTXSID20402249
CS-0365066
AMY12052
F12575
J-505060
2-phenyl-2,4-dihydro-pyrazol-3-one
876-92-6
AKOS022172041
1-Phenyl-1H-pyrazol-5(4H)-one
2-PHENYL-2H-PYRAZOLE-3(4H)-ONE
1-Phenyl-2-pyrazolin-5-one
1-Phenyl-5-pyrazolone

MDL Number

MFCD00462194

FAQ

What is 1-phenyl-1H-pyrazol-5(4H)-one (CAS: 876-92-6)?

1-Phenyl-1H-pyrazol-5(4H)-one, CAS 876-92-6, is an aromatic heterocyclic compound with a pyrazole ring fused to a phenyl group. It is characterized by its unique chemical structure and stability. It is commonly used in pharmaceutical and research applications due to its bioactivity.

What are the main uses of 1-phenyl-1H-pyrazol-5(4H)-one (CAS: 876-92-6)?

1-Phenyl-1H-pyrazol-5(4H)-one is primarily used in the pharmaceutical industry as an intermediate for synthesizing drug candidates. It is also utilized in research for its biological activity and in some industrial applications for its chemical properties.

Is 1-phenyl-1H-pyrazol-5(4H)-one (CAS: 876-92-6) safe?

1-Phenyl-1H-pyrazol-5(4H)-one is generally considered safe when handled properly. However, it is important to follow all safety precautions, including wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation during handling. Avoid contact with skin and eyes, and dispose of waste materials according to local regulations.

How should 1-phenyl-1H-pyrazol-5(4H)-one (CAS: 876-92-6) be stored?

1-Phenyl-1H-pyrazol-5(4H)-one should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent exposure to moisture and contamination. Store in a well-ventilated area to avoid inhalation risk and ensure proper labeling for easy identification and handling.