1008-79-3

Basic information

• Product Name: 1-Phenyl-1H-pyrazol-3(2H)-one
• Synonyms: 1-Phenyl-1H-pyrazol-3(2H)-one;1-Phenyl-3(2H)-pyrazolone;1-phenyl-1,5-dihydro-4H-iMidazol-4-one;1-Phenyl-5H-IMidazol-4-one;1-Phenyl-3-hydroxypyrazole;1-Phenyl-1,2-dihydropyrazol-3-one;1,2-Dihydro-1-phenyl-3H-pyrazol-3-one;3H-Pyrazol-3-one,1,2-dihydro-1-phenyl-
• CAS NO: 1008-79-3
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.19
• Mol File: 1008-79-3.mol
• Article Data: 18

Chemical Properties

• Melting Point: 154°C
• Boiling Point: 286.07°C (rough estimate)
• Flash Point: 112.1°C
• Appearance: /
• Density: 1.1846 (rough estimate)
• Vapor Pressure: 0.0113mmHg at 25°C
• Refractive Index: 1.5570 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 8.14±0.70(Predicted)
• CAS DataBase Reference: 1-Phenyl-1H-pyrazol-3(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Phenyl-1H-pyrazol-3(2H)-one(1008-79-3)
• EPA Substance Registry System: 1-Phenyl-1H-pyrazol-3(2H)-one(1008-79-3)

Safety Data

• Hazardous Substances Data: 1008-79-3(Hazardous Substances Data)

Usage

General Description

1-Phenyl-1H-pyrazol-3(2H)-one, also known as 2-Pyrazolin-5-one or 5-Hydroxy-1-phenyl-1H-pyrazole, is an organic compound that belongs to the class of pyrazolone derivatives. It is a white to light yellow crystalline powder with a melting point of around 166-169°C. This chemical is widely used as a building block in the synthesis of various pharmaceuticals and agrochemicals. It has also been investigated for its potential biological activities, including its antimicrobial, antioxidant, anti-inflammatory, and analgesic properties. Additionally, 1-Phenyl-1H-pyrazol-3(2H)-one has been studied as a potential fluorescent probe for detecting various metal ions due to its strong metal chelating ability.

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

Upstream product

• 3314-35-0 3-Amino-1-phenyl-2-pyrazoline 
• 922-67-8 propynoic acid methyl ester 
• 100-63-0 phenylhydrazine 
• 62-53-3 aniline 
• 92-43-3 1-phenylpyrazolidin-3-one 
• 10575-90-3 N-nitroso-N-cyclopropylurea 
• 1207431-96-6 ethyl 3-ethoxy-1-phenyl-1H-pyrazole-4-carboxylate 
• 26955-79-3 3-(N'-phenyl-hydrazino)-propionitrile 
• 40149-32-4 ethyl 3-chloro-2-hydroxypropanoate 
• 140-88-5 ethyl acrylate 
• 59-88-1 phenylhydrazine hydrochloride 

Downstream Products

• 1190837-93-4 1-phenyl-1H-pyrazol-3-yl trifluoromethane sulfonate 
• 543694-92-4 4-bromo-1-(4-bromophenyl)-3-hydroxy-1H-pyrazole 
• 1190837-95-6 4-iodo-1-phenyl-1H-pyrazol-3-ol 
• 7409-31-6 4-bromo-3-hydroxy-1-phenyl-1H-pyrazole 
• 1207432-03-8 3-ethoxy-1-phenyl-1H-pyrazole 
• 7409-32-7 4-chloro-1-phenyl-1H-pyrazol-3-ol 
• 1338378-17-8 4-chloro-3-ethoxy-1-phenyl-1H-pyrazole 
• 1257338-97-8 3-(2-((1-phenyl-2H-pyrazol-3-yloxy)methyl)phenyl)oxazolidin-2-one 
• 1190837-98-9 1-phenyl-4-(phenylethynyl)-1H-pyrazol-3-ol 
• 464185-13-5 3-(benzyloxy)-1-phenyl-1H-pyrazole-4-carbaldehyde 

Relevant articles and documents

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Decomposition of N-cyclopropyl-N-nitrosourea in the presence of reducing agents as a new way of generating the cyclopropyl radical

A new way of generating cyclopropyl radicals in the base-catalyzed decomposition of N-cyclopropyl-N-nitrosourea in the presence of organic reducing agents (1-phenylpyrazolidin-3-one and 4-methoxyphenol) was developed. The cyclopropyl radical generated und

ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES

A compound having a structure of the formula Ir(LA)(LB), in which LA is a bidentate, tridentate, tetradentate, pentadentate, or hexadentate ligand and LB is a monodentate, bidentate, tridentate, or tetradentate ligand, or not present, and where the total denticity of LA plus LB is 6, and LA includes at least one structure of Formula I: is disclosed as a useful phosphorescent emitter compound.

Synthesis, fungicidal activity, structure-activity relationship and density functional theory studies of novel oxime ether derivatives containing 1-aryl-3-oxypyrazoles

A series of 16 oxime ether derivatives containing 1-aryl-3-oxypyrazoles were synthesised, and the structure of one of them, (E)-methyl 2-(2-({(1-(4-chlorophenyl)-1H-pyrazol-3-yl)-oxy}methyl)phenyl)-2-(methoxyimino)acetate was determined by X-ray diffraction crystallography. Preliminary bioassays indicated that some of these compounds exhibited very good fungicidal activities against Rhizoctonia solani, especially the ester 2-(2-({(1-(4-chlorophenyl)-1H-pyrazol-3-yl)-oxy}methyl)phenyl)-2-(methoxyimino)acetate, which displayed greater activity than control compound pyraclostrobin at a dosage of 0.1 μg mL-1. The relationship between structure and fungicidal activity was discussed. Density functional theory studies of the 3-methyl heterocyclic ester and the 4-chorophenyl heterocyclic N-methylamide were carried out and the results discussed in terms of the wide difference in fungicidal activity shown by each compound.