CAS No.13739-48-5,2-Methyl-4-phenyl-1H-imidazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13739-48-5
Name:	2-Methyl-4-phenyl-1H-imidazole
Article Data:	8

Formula:	C₁₀H₁₀N₂
Molecular Weight:	158.203
Synonyms:	1H-Imidazole,2-methyl-4-phenyl- (9CI);Imidazole, 2-methyl-4(or 5)-phenyl- (7CI);Imidazole,2-methyl-4-phenyl- (8CI);2-Methyl-4-phenylimidazole;1H-imidazole, 2-methyl-4-phenyl-;
Density:	1.109 g/cm³
Melting Point:	159-160.5 °C
Boiling Point:	396.2 °C at 760 mmHg
Flash Point:	220.1 °C
Risk Codes:	36
Safety:	26
PSA:	28.68000
LogP:	2.38510

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Specification

The 2-Methyl-4-phenyl-1H-imidazole, with the CAS registry number 13739-48-5, is also known as 1H-Imidazole,2-methyl-5-phenyl-. It belongs to the product categories of Imidazoles & Benzimidazoles. And the molecular formula of this chemical is C₁₀H₁₀N₂.

The physical properties of 2-Methyl-4-phenyl-1H-imidazole are as following: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.79; (7)ACD/KOC (pH 5.5): 1.63; (8)ACD/KOC (pH 7.4): 56.66; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 48.19 cm³; (15)Molar Volume: 142.5 cm³; (16)Polarizability: 19.1×10^-24cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.109 g/cm³; (19)Flash Point: 220.1 °C; (20)Enthalpy of Vaporization: 62.12 kJ/mol; (21)Boiling Point: 396.2 °C at 760 mmHg; (22)Vapour Pressure: 3.98E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2cc(c1ccccc1)nc2C
(2)InChI: InChI=1/C10H10N2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
(3)InChIKey: PHMIILSQQVFWKC-UHFFFAOYAO