CAS No.6831-89-6,1,5-DIPHENYL-1H-PYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6831-89-6
Name:	1,5-DIPHENYL-1H-PYRAZOLE
Article Data:	30

Formula:	C₁₅H₁₂N₂
Molecular Weight:	220.274
Synonyms:	Pyrazole,1,5-diphenyl- (6CI,7CI,8CI);1,5-Diphenylpyrazole;
Density:	1.07 g/cm³
Melting Point:	100-103℃
Boiling Point:	377 °C at 760 mmHg
Flash Point:	181.8 °C
PSA:	17.82000
LogP:	3.53930

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Specification

The CAS register number of 1H-Pyrazole,1,5-diphenyl- is 6831-89-6. It also can be called as Pyrazole,1,5-diphenyl- (6CI,7CI,8CI) and the systematic name about this chemical is 1,5-diphenyl-1H-pyrazole. The molecular formula about this chemical is C₁₅H₁₂N₂ and the molecular weight is 220.27. It belongs to the following product categorie which include pharmacetical.

Physical properties about 1H-Pyrazole,1,5-diphenyl- are: (1)ACD/LogP: 4.27; (2)ACD/LogD (pH 5.5): 4.27; (3)ACD/LogD (pH 7.4): 4.27; (4)ACD/BCF (pH 5.5): 1041.59; (5)ACD/BCF (pH 7.4): 1041.6; (6)ACD/KOC (pH 5.5): 5031.16; (7)ACD/KOC (pH 7.4): 5031.17; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.82 Å²; (11)Index of Refraction: 1.613; (12)Molar Refractivity: 71.03 cm³; (13)Molar Volume: 204 cm³; (14)Polarizability: 28.16x10^-24cm³; (15)Surface Tension: 43.1 dyne/cm; (16)Density: 1.07 g/cm³; (17)Flash Point: 181.8 °C; (18)Enthalpy of Vaporization: 60.02 kJ/mol; (19)Boiling Point: 377 °C at 760 mmHg; (20)Vapour Pressure: 1.51E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(n1c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C15H12N2/c1-3-7-13(8-4-1)15-11-12-16-17(15)14-9-5-2-6-10-14/h1-12H
(3)InChIKey: IDCXLYCLPHRSAZ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H12N2/c1-3-7-13(8-4-1)15-11-12-16-17(15)14-9-5-2-6-10-14/h1-12H
(5)Std. InChIKey: IDCXLYCLPHRSAZ-UHFFFAOYSA-N