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| CAS No.: | 2620-76-0 |
|---|---|
| Name: | 2-(4-Bromophenyl)-1-phenyl-1H-benzoimidazole |
| Article Data: | 50 |
| Molecular Structure: | |
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| Formula: | C19H13 Br N2 |
| Molecular Weight: | 349.23 |
| Synonyms: | Benzimidazole,2-(p-bromophenyl)-1-phenyl- (7CI,8CI);1-Phenyl-2-(4-bromophenyl)benzimidazole;2-(4-Bromophenyl)-1-phenyl-1H-benzimidazole;2-(4-Bromophenyl)-1-phenylbenzimidazole; |
| EINECS: | 1533716-785-6 |
| Density: | 1.38 g/cm3 |
| Melting Point: | 162-166℃ |
| Boiling Point: | 503.5°C at 760mmHg |
| Flash Point: | 258.3 °C |
| Appearance: | white to yellow crystal |
| PSA: | 17.82000 |
| LogP: | 5.45500 |
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Specification
The 1H-Benzimidazole,2-(4-bromophenyl)-1-phenyl-, with the cas registry number 2620-76-0, has the systematic name of 2-(4-bromophenyl)-1-phenyl-1H-benzimidazole. And it could also be known to us as 1-phenyl-2-(4-bromophenyl)benzimidazole. This chemical is a kind of white to yellow crystal.
The characteristics of this chemical are as follows: (1)ACD/LogP: 7.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.98; (4)ACD/LogD (pH 7.4): 7.01; (5)ACD/BCF (pH 5.5): 117534.96; (6)ACD/BCF (pH 7.4): 126140.73; (7)ACD/KOC (pH 5.5): 145199.91; (8)ACD/KOC (pH 7.4): 155831.27; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 17.82; (12)Index of Refraction: 1.671; (13)Molar Refractivity: 94.48 cm3; (14)Molar Volume: 252.4 cm3; (15)Polarizability: 37.45 ×10-24 cm3; (16)Surface Tension: 48.4 dyne/cm; (17)Density: 1.38 g/cm3; (18)Flash Point: 258.3 °C; (19)Enthalpy of Vaporization: 77.28 kJ/mol; (20)Boiling Point: 503.5 °C at 760 mmHg; (21)Vapour Pressure: 2.88E-10 mmHg at 25°C.
In addition, you could obtain the molecular structure by converting the following datas:
(1)SMILES:Brc1ccc(cc1)c3nc2ccccc2n3c4ccccc4
(2)InChI:InChI=1/C19H13BrN2/c20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13H
(3)InChIKey:DXRLALXPCIOIDK-UHFFFAOYAP