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CAS No.: | 33469-15-7 |
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Name: | 2-(4-Chlorophenyl)-4-(trifluoromethyl)-1H-imidazole |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H6ClF3N2 |
Molecular Weight: | 246.619 |
Synonyms: | 1H-Imidazole,2-(4-chlorophenyl)-4-(trifluoromethyl)- (9CI);Imidazole,2-(p-chlorophenyl)-4-(trifluoromethyl)- (8CI);2-(p-Chlorophenyl)-4(5)-trifluoromethylimidazole; |
Density: | 1.436 g/cm3 |
Melting Point: | 218-221 °C |
Boiling Point: | 362.1 °C at 760 mmHg |
Flash Point: | 172.8 °C |
Hazard Symbols: | Xi |
PSA: | 28.68000 |
LogP: | 3.74890 |
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The 2-(4-Chlorophenyl)-4-(trifluoromethyl)-1H-imidazole is an organic compound with the formula C10H6ClF3N2. The systematic name of this chemical is 2-(4-chlorophenyl)-4-(trifluoromethyl)-1H-imidazole. With the CAS registry number 33469-15-7, it is also named as 1H-Imidazole, 2-(4-chlorophenyl)-4-(trifluoromethyl)-. The product's category is Heterocycle.
Physical properties about 2-(4-Chlorophenyl)-4-(trifluoromethyl)-1H-imidazole are: (1)ACD/LogP: 2.85; (2)ACD/LogD (pH 5.5): 2.85; (3)ACD/LogD (pH 7.4): 2.85; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 28.68 Å2; (8)Index of Refraction: 1.532; (9)Molar Refractivity: 53.24 cm3; (10)Molar Volume: 171.7 cm3; (11)Polarizability: 21.1×10-24cm3; (12)Surface Tension: 38.3 dyne/cm; (13)Density: 1.436 g/cm3; (14)Flash Point: 172.8 °C; (15)Enthalpy of Vaporization: 58.41 kJ/mol; (16)Boiling Point: 362.1 °C at 760 mmHg; (17)Vapour Pressure: 4.12E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1c2[nH]cc(n2)C(F)(F)F)Cl
(2)InChI: InChI=1/C10H6ClF3N2/c11-7-3-1-6(2-4-7)9-15-5-8(16-9)10(12,13)14/h1-5H,(H,15,16)
(3)InChIKey: ZTXYPSFNTFQYBS-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H6ClF3N2/c11-7-3-1-6(2-4-7)9-15-5-8(16-9)10(12,13)14/h1-5H,(H,15,16)
(5)Std. InChIKey: ZTXYPSFNTFQYBS-UHFFFAOYSA-N