1-(4-Fluorophenyl)-3-methyl-2-pyrazolin-5-one supplier

Name
2-(4-Chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazole-3-one
EINECS
CAS No. 100553-83-1
Article Data26
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 148-149 °C
Formula C₁₀H₉FN₂O
Boiling Point 351.3 °C at 760 mmHg
Molecular Weight 192.193
Flash Point 166.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-5-methyl-;
PSA 32.67000
LogP 1.43890

1-(4-Fluorophenyl)-3-methyl-2-pyrazolin-5-one Specification

The 1-(4-Fluorophenyl)-3-methyl-2-pyrazolin-5-one with the cas number 100553-83-1 is also called 3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-5-methyl-. The systematic name is 2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one. Its molecular formula is C₁₀H₉FN₂O.

The properties of the chemical are: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 32.67 Å²; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 51.07 cm³; (9)Molar Volume: 151.3 cm³; (10)Polarizability: 20.24×10^-24cm³; (11)Surface Tension: 41 dyne/cm; (12)Enthalpy of Vaporization: 59.6 kJ/mol; (13)Vapour Pressure: 4.15×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(N1/N=C(\CC1=O)C)cc2
(2)InChI: InChI=1/C10H9FN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3
(3)InChIKey: VJVFAPBCFDWAEX-UHFFFAOYAK

Product Name

2-(4-Chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazole-3-one

1-(4-Fluorophenyl)-3-methyl-2-pyrazolin-5-one Specification

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