3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole supplier

Name
3-(4-CHLOROPHENYL)-4-PHENYL-1H PYRAZOLE
EINECS
CAS No. 59074-26-9
Article Data1
CAS DataBase
Density 1.239 g/cm³
Solubility
Melting Point 156-162 °C
Formula C₁₅H₁₃ClN₂
Boiling Point 393.001 °C at 760 mmHg
Molecular Weight 256.735
Flash Point 191.48 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-CHLOROPHENYL)-4-PHENYL-1H PYRAZOLE
PSA 24.39000
LogP 3.19550

3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole Specification

The 3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole, with the CAS registry number 59074-26-9, is also known as 1H-pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-4-phenyl-. This chemical's molecular formula is C₁₅H₁₃ClN₂ and molecular weight is 256.73. What's more, its systematic name is 3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole.

Physical properties of 3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole are: (1)ACD/LogP: 2.876; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 90.15; (6)ACD/BCF (pH 7.4): 90.37; (7)ACD/KOC (pH 5.5): 872.32; (8)ACD/KOC (pH 7.4): 874.44; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 24.39 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 74.736 cm³; (15)Molar Volume: 207.284 cm³; (16)Polarizability: 29.628×10^-24cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.239 g/cm³; (19)Flash Point: 191.48 °C; (20)Enthalpy of Vaporization: 64.282 kJ/mol; (21)Boiling Point: 393.001 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc(/C1=N/NCC1c2ccccc2)cc
(2)Std. InChI: InChI=1S/C15H13ClN2/c16-13-8-6-12(7-9-13)15-14(10-17-18-15)11-4-2-1-3-5-11/h1-9,14,17H,10H2
(3)Std. InChIKey: SKLKZKAMWPQZLM-UHFFFAOYSA-N

Product Name

3-(4-CHLOROPHENYL)-4-PHENYL-1H PYRAZOLE

3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole Specification

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