2-(2-Benzimidazolyl)-4-bromophenol supplier

Name
2-(1H-BENZIMIDAZOL-2-YL)-4-BROMOPHENOL
EINECS
CAS No. 62871-28-7
Article Data17
CAS DataBase
Density 1.652 g/cm³
Solubility
Melting Point 256-257℃
Formula C₁₃H₉BrN₂O
Boiling Point 486.6 °C at 760 mmHg
Molecular Weight 289.131
Flash Point 248.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol,2-(2-benzimidazolyl)-4-bromo- (6CI,7CI);2-(2-Benzimidazolyl)-4-bromophenol;2-(2'-Hydroxy-5'-bromophenyl)benzimidazole;2-(1H-benzo[d]imidazol-2-yl)-4-bromophenol;
PSA 48.91000
LogP 3.69800

2-(2-Benzimidazolyl)-4-bromophenol Specification

The Phenol, 2-(1H-benzimidazol-2-yl)-4-bromo-, its CAS registry number is 62871-28-7. This chemical's molecular formula is C₁₃H₉BrN₂O and molecular weight is 289.1274. What's more, its systematic name is called 2-(1H-Benzimidazol-2-yl)-4-bromo-phenol.

Physical properties about Phenol, 2-(1H-benzimidazol-2-yl)-4-bromo- are: (1)ACD/LogP: 4.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.66; (4)ACD/LogD (pH 7.4): 4.68; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 48.91 Å²; (9)Index of Refraction: 1.742; (10)Molar Refractivity: 70.78 cm³; (11)Molar Volume: 174.9 cm³; (12)Polarizability: 28.06×10^-24 cm³; (13)Surface Tension: 68.6 dyne/cm; (14)Density: 1.652 g/cm³; (15)Flash Point: 248.1 °C; (16)Enthalpy of Vaporization: 78.09 kJ/mol; (17)Boiling Point: 486.6 °C at 760 mmHg; (18)Vapour Pressure: 4.31E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)[nH]c(n2)c3cc(ccc3O)Br
(2) InChI: InChI=1/C13H9BrN2O/c14-8-5-6-12(17)9(7-8)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,(H,15,16)
(3) InChIKey: DHGHFCLCUPPGKW-UHFFFAOYAM

Product Name

2-(1H-BENZIMIDAZOL-2-YL)-4-BROMOPHENOL

2-(2-Benzimidazolyl)-4-bromophenol Specification

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