CAS No.3463-27-2,1-Methyl-5-phenyl-1H-pyrazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3463-27-2
Name:	1-Methyl-5-phenyl-1H-pyrazole
Article Data:	9

Formula:	C₁₀H₁₀N₂
Molecular Weight:	158.203
Synonyms:	Pyrazole, 1-methyl-5-phenyl- (6CI,7CI,8CI);1-Methyl-5-phenyl-1H-pyrazole;1-Methyl-5-phenylpyrazole;5-Phenyl-1-methylpyrazole;
Density:	1.04 g/cm³
Boiling Point:	280.5 °C at 760 mmHg
Flash Point:	123.4 °C
PSA:	17.82000
LogP:	2.08710

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Specification

This chemical is called 1H-Pyrazole,1-methyl-5-phenyl-, and its systematic name is 1-Methyl-5-phenylpyrazole. With the molecular formula of C₁₀H₁₀N₂, its molecular weight is 158.20. The CAS registry number of this chemical is 3463-27-2.

Other characteristics of the 1H-Pyrazole,1-methyl-5-phenyl- can be summarised as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 17.08; (6)ACD/BCF (pH 7.4): 17.09; (7)ACD/KOC (pH 5.5): 265.34; (8)ACD/KOC (pH 7.4): 265.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 50.35 cm³; (15)Molar Volume: 151 cm³; (16)Polarizability: 19.96×10^-24cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 123.4 °C; (20)Enthalpy of Vaporization: 49.84 kJ/mol; (21)Boiling Point: 280.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00641 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1. InChI: InChI=1/C10H10N2/c1-12-10(7-8-11-12)9-5-3-2-4-6-9/h2-8H,1H3
2.Smiles: n1(c(ccn1)c1ccccc1)C