3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-phenyl- supplier

Name
1-Methyl-3-phenyl-2-pyrazoline-5-one
EINECS
CAS No. 41927-50-8
Article Data5
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀N₂O
Boiling Point 333.7 °C at 760 mmHg
Molecular Weight 174.202
Flash Point 155.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrazolin-5-one,1-methyl-3-phenyl- (7CI);1-Methyl-3-phenyl-2-pyrazolin-5-one;1-Methyl-3-phenyl-4,5-dihydropyrazole-5-one;NSC 49177;
PSA 32.67000
LogP 0.62630

3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-phenyl- Specification

The 3H-Pyrazol-3-one, 2, 4-dihydro-2-methyl-5-phenyl-, with the CAS registry number 41927-50-8, is also known as 1-Methyl-3-phenyl-2-pyrazoline-5-one. This chemical's molecular formula is C₁₀H₁₀N₂O and molecular weight is 174.1992. What's more, its IUPAC name is 2-Methyl-5-phenyl-4H-pyrazol-3-one.

Physical properties about 3H-Pyrazol-3-one, 2, 4-dihydro-2-methyl-5-phenyl- are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.44; (5)ACD/BCF (pH 5.5): 1.26; (6)ACD/BCF (pH 7.4): 1.26; (7)ACD/KOC (pH 5.5): 41.05; (8)ACD/KOC (pH 7.4): 41.13; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 51.2 cm³; (15)Molar Volume: 148.3 cm³; (16)Polarizability: 20.3×10^-24 cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 155.6 °C; (20)Enthalpy of Vaporization: 57.66 kJ/mol; (21)Boiling Point: 333.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000134 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2N(/N=C(/c1ccccc1)C2)C
(2) InChI: InChI=1/C10H10N2O/c1-12-10(13)7-9(11-12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
(3) InChIKey: NIXIJMXBXHWPEK-UHFFFAOYAJ

Product Name

1-Methyl-3-phenyl-2-pyrazoline-5-one

3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-phenyl- Specification

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