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2-(4-Methylphenyl)-4-(trifluoromethyl)-1H-imidazole

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Name

2-(4-Methylphenyl)-4-(trifluoromethyl)-1H-imidazole

EINECS N/A
CAS No. 33469-18-0 Density 1.284 g/cm3
PSA 28.68000 LogP 3.40390
Solubility N/A Melting Point 221-222 °C
Formula C11H9F3N2 Boiling Point 345.391 °C at 760 mmHg
Molecular Weight 226.201 Flash Point 162.687 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 33469-18-0 (2-(4-Methylphenyl)-4-(trifluoromethyl)-1H-imidazole) Hazard Symbols N/A
Synonyms

1H-Imidazole,2-(4-methylphenyl)-4-(trifluoromethyl)- (9CI);Imidazole,2-p-tolyl-4-(trifluoromethyl)- (8CI);2-(4-Methylphenyl)-4-(trifluoromethyl)-1H-imidazole;

Article Data 3

2-(4-Methylphenyl)-4-(trifluoromethyl)-1H-imidazole Specification

This chemical is called 2-(4-Methylphenyl)-4-(trifluoromethyl)-1H-imidazole, and it can also be named as 1H-imidazole, 2-(4-methylphenyl)-4-(trifluoromethyl)-. With the molecular formula of C11H9F3N2, its molecular weight is 226.20. The CAS registry number of this chemical is 33469-18-0. In addition, the product category of this chemical is Heterocycle.

Other characteristics of the 2-(4-Methylphenyl)-4-(trifluoromethyl)-1H-imidazole can be summarised as followings: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 95; (6)ACD/BCF (pH 7.4): 96; (7)ACD/KOC (pH 5.5): 905; (8)ACD/KOC (pH 7.4): 914; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 53.174 cm3; (15)Molar Volume: 176.05 cm3; (16)Polarizability: 21.08×10-24cm3; (17)Surface Tension: 35.338 dyne/cm; (18)Density: 1.284 g/cm3; (19)Flash Point: 162.687 °C; (20)Enthalpy of Vaporization: 56.615 kJ/mol; (21)Boiling Point: 345.391 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(F)c2cnc(c1ccc(cc1)C)n2
2.InChI: InChI=1/C11H9F3N2/c1-7-2-4-8(5-3-7)10-15-6-9(16-10)11(12,13)14/h2-6H,1H3,(H,15,16)
3.InChIKey: RHUFQNGBEGDCJM-UHFFFAOYAM
4.Std. InChI: InChI=1S/C11H9F3N2/c1-7-2-4-8(5-3-7)10-15-6-9(16-10)11(12,13)14/h2-6H,1H3,(H,15,16)
5.Std. InChIKey: RHUFQNGBEGDCJM-UHFFFAOYSA-N

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