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1H-Imidazole,2-(2-chlorophenyl)-4,5-diphenyl- (1707-67-1)

Identification
Name:1H-Imidazole,2-(2-chlorophenyl)-4,5-diphenyl-
Synonyms:Imidazole,2-(o-chlorophenyl)-4,5-diphenyl- (6CI,7CI,8CI);2-(2-Chlorophenyl)-4,5-diphenyl-1H-imidazole;2-(2-Chlorophenyl)-4,5-diphenylimidazole;2-(o-Chlorophenyl)-4,5-diphenylimidazole;
CAS:1707-67-1
EINECS: 216-951-1
Molecular Formula: C21H15ClN2
Molecular Weight: 330.81
InChI: InChI=1/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)
Molecular Structure: (C21H15ClN2) Imidazole,2-(o-chlorophenyl)-4,5-diphenyl- (6CI,7CI,8CI);2-(2-Chlorophenyl)-4,5-diphenyl-1H-imidazol...
Properties
Melting Point: 197 ºC
Density:1.23 g/cm3
Refractive index:1.645
Appearance:Yellowish powder
Specification:

The IUPAC name of 1H-Imidazole,2-(2-chlorophenyl)-4,5-diphenyl- is 2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole. With the CAS registry number 1707-67-1, it is also named as 2-(o-Chlorophenyl)-4,5-diphenylimidazole. The product is yellowish powder. In addition, its molecular formula is C21H15ClN2 and molecular weight is 330.81.

The other characteristics of this product can be summarized as: (1)EINECS: 216-951-1; (2)ACD/LogP: 5.11; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 5.02; (5)ACD/LogD (pH 7.4): 5.11; (6)ACD/BCF (pH 5.5): 3648.16; (7)ACD/BCF (pH 7.4): 4483.43; (8)ACD/KOC (pH 5.5): 11628.23; (9)ACD/KOC (pH 7.4): 14290.59; (10)H bond acceptors: 2; (11)H bond donors: 1; (12)Freely Rotating Bonds: 3; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 97.44 cm3; (15)Molar Volume: 268.7 cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.23 g/cm3; (18)Flash Point: 307.8 °C; (19)Melting Point: 197 °C; (20)Enthalpy of Vaporization: 78.06 kJ/mol; (21)Boiling Point: 534.8 °C at 760 mmHg; (22)Vapour Pressure: 5.67E-11 mmHg at 25 °C.

Preparation of 1H-Imidazole,2-(2-chlorophenyl)-4,5-diphenyl-: this chemical can be prepared by 2-Chloro-benzaldehyde and Diphenylethanedione.



This reaction needs Ammonium acetate and Glacial acetic acid by heating. The reaction time is 9.5 hours. The yield is 72 %.

Uses of 1H-Imidazole,2-(2-chlorophenyl)-4,5-diphenyl-: it can be used for producing 2-(2-Chloro-phenyl)-1-ethyl-4,5-diphenyl-1H-imidazole.



This reaction needs NaH and Tetrahydrofuran by heating for 2 hours. The yield is 61 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1ccccc1c2nc(c(n2)c3ccccc3)c4ccccc4
(2)InChI:InChI=1/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)
(3)InChIKey:NSWNXQGJAPQOID-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)
(5)Std. InChIKey:NSWNXQGJAPQOID-UHFFFAOYSA-N

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