1H-Pyrazole,3,4-diphenyl- supplier

Name
3,4-diphenyl-2H-pyrazole
EINECS
CAS No. 24567-08-6
Article Data6
CAS DataBase
Density 1.149 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₂N₂
Boiling Point 396.9 °C at 760 mmHg
Molecular Weight 220.274
Flash Point 180.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Diphenylpyrazole;4,5-Diphenyl-1H-pyrazole;Pyrazole, 3,4-diphenyl-;
PSA 28.68000
LogP 3.74370

1H-Pyrazole,3,4-diphenyl- Specification

The 1H-Pyrazole,3,4-diphenyl-, with the CAS registry number 24567-08-6, is also known as 3,4-Diphenylpyrazole. This chemical's molecular formula is C₁₅H₁₂N₂ and molecular weight is 220.27. What's more, its IUPAC name is 4,5-diphenyl-1H-pyrazole.

Physical properties of 1H-Pyrazole,3,4-diphenyl- are: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 215.53; (6)ACD/BCF (pH 7.4): 215.62; (7)ACD/KOC (pH 5.5): 1628.89; (8)ACD/KOC (pH 7.4): 1629.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 67.96 cm³; (15)Molar Volume: 191.5 cm³; (16)Polarizability: 26.94×10^-24cm³; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.149 g/cm³; (19)Flash Point: 180.8 °C; (20)Enthalpy of Vaporization: 62.2 kJ/mol; (21)Boiling Point: 396.9 °C at 760 mmHg; (22)Vapour Pressure: 3.79E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2cc(c(c1ccccc1)n2)c3ccccc3
(2)Std. InChI: InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
(3)Std. InChIKey: MQWYZELNDPRANJ-UHFFFAOYSA-N

Product Name

3,4-diphenyl-2H-pyrazole

1H-Pyrazole,3,4-diphenyl- Specification

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