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19311-79-6

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Basic Information
CAS No.: 19311-79-6
Name: 1-Methyl-3,5-diphenylpyrazole
Article Data: 36
Molecular Structure:
Molecular Structure of 19311-79-6 (1-Methyl-3,5-diphenylpyrazole)
Formula: C16H14N2
Molecular Weight: 234.301
Synonyms: 1-Methyl-3,5-diphenylpyrazole;
Density: 1.06 g/cm3
Boiling Point: 387.5 °C at 760 mmHg
Flash Point: 188.2 °C
PSA: 17.82000
LogP: 3.75410
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Specification

The 1-Methyl-3,5-diphenyl-pyrazole, with the CAS registry number 19311-79-6, is also known as 1-Methyl-3,5-diphenyl-1H-pyrazole. This chemical's molecular formula is C16H14N2 and molecular weight is 234.2958. What's more, its systematic name and its IUPAC name are the same which is called 1-Methyl-3,5-diphenylpyrazole.

Physical properties about 1-Methyl-3,5-diphenyl-pyrazole: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 610.47; (6)ACD/BCF (pH 7.4): 610.54; (7)ACD/KOC (pH 5.5): 3432.18; (8)ACD/KOC (pH 7.4): 3432.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 75.46 cm3; (15)Molar Volume: 219.2 cm3; (16)Polarizability: 29.91×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 188.2 °C; (20)Enthalpy of Vaporization: 61.17 kJ/mol; (21)Boiling Point: 387.5 °C at 760 mmHg; (22)Vapour Pressure: 7.32E-06 mmHg at 25 °C.

Preparation of 1-Methyl-3,5-diphenyl-pyrazole: this chemical is prepared by reaction of 3,5-Diphenyl-1H-pyrazole with Iodomethane. The yield is 72 %.



Uses of 1-Methyl-3,5-diphenyl-pyrazole: it is used to produce other chemicals. For example, it is used to produce 1,2-Dimethyl-3,5-diphenylpyrazolium sulfate. The reaction occurs with reagent Xylene acid at temperature of 100 °C for 6 hours. The yield respectively is 17 %.



You can still convert the following datas into molecular structure:
(1) SMILES: n2c(cc(c1ccccc1)n2C)c3ccccc3
(2) InChI: InChI=1/C16H14N2/c1-18-16(14-10-6-3-7-11-14)12-15(17-18)13-8-4-2-5-9-13/h2-12H,1H3
(3) InChIKey: SVDTUJAQNAQGGW-UHFFFAOYAU