| Identification | |
| Name: | 1-(4-Fluorophenyl)-3-methyl-2-pyrazolin-5-one |
| Synonyms: | 1-(4-Fluorophenyl)-3-methyl-4,5-dihydropyrazole-5-one |
| CAS: | 100553-83-1 |
| Molecular Formula: | C10H9FN2O |
| Molecular Weight: | 192.19 |
| InChI: | InChI=1/C10H9FN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.26 |
| Refractive index: | 1.59 |
| 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: |
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