2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole supplier

Name
2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole
EINECS
CAS No. 540516-28-7
Article Data3
CAS DataBase
Density 1.815 g/cm³
Solubility
Melting Point
Formula C₈H₇BrN₂O
Boiling Point 465.5 °C at 760 mmHg
Molecular Weight 227.06
Flash Point 235.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 48.91000
LogP 1.81770

2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole 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

Product Name

2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole

2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole Specification

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