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| CAS No.: | 540516-28-7 |
|---|---|
| Name: | 2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H7BrN2O |
| Molecular Weight: | 227.06 |
| Synonyms: | 2-(HYDROXYMETHYL)-5-BROMO-1H-BENZOIMIDAZOLE;5-Bromobenzimidazole-2-methanol;(5-bromo-1H-benzimidazol-2-yl)methanol(SALTDATA: FREE);1H-BenziMidazole-2-Methanol, 6-broMo-;(5-broMo-1H-benzo[d]iMidazol-2-yl)Methanol;2-(HydroxyMethyl)-5-broMobenziMidazole |
| Density: | 1.815 g/cm3 |
| Boiling Point: | 465.5 °C at 760 mmHg |
| Flash Point: | 235.3 °C |
| PSA: | 48.91000 |
| LogP: | 1.81770 |
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- Total:31 Page 1 of 1 1
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Specification
This chemical is called 2-(Hydroxymethyl)-5-bromo-1h-benzoimidazole, and its systematic name is (6-bromo-1H-benzimidazol-2-yl)methanol. With the molecular formula of C8H7BrN2O, its molecular weight is 227.057980. The CAS registry number of this chemical is 540516-28-7.
Other characteristics of the 2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole can be summarised as followings: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.05; (6)ACD/BCF (pH 7.4): 7.3; (7)ACD/KOC (pH 5.5): 139.32; (8)ACD/KOC (pH 7.4): 144.28; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.746; (14)Molar Refractivity: 50.76 cm3; (15)Molar Volume: 125 cm3; (16)Polarizability: 20.12×10-24cm3; (17)Surface Tension: 75.6 dyne/cm; (18)Density: 1.815 g/cm3; (19)Flash Point: 235.3 °C; (20)Enthalpy of Vaporization: 76.6 kJ/mol; (21)Boiling Point: 465.5 °C at 760 mmHg; (22)Vapour Pressure: 1.83E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc2cc1c(nc(n1)CO)cc2
2.InChI: InChI=1/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-3,12H,4H2,(H,10,11)
3.InChIKey: RXQCVQKHRKONLO-UHFFFAOYAI