1-(4-Bromophenyl)imidazole

The 1H-Imidazole,1-(4-bromophenyl)-, with the CAS registry number 100490-36-6, is also known as ZINC02528151. This chemical's molecular formula is C₉H₇BrN₂ and molecular weight is 223.06928. Its IUPAC name is called 1-(4-bromophenyl)imidazole.

Physical properties of 1H-Imidazole,1-(4-bromophenyl)-: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 2.46; (3)ACD/LogD (pH 7.4): 2.75; (4)ACD/BCF (pH 5.5): 37.03; (5)ACD/BCF (pH 7.4): 71.79; (6)ACD/KOC (pH 5.5): 381.2; (7)ACD/KOC (pH 7.4): 739.07; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.64; (11)Molar Refractivity: 53.48 cm³; (12)Molar Volume: 148.4 cm³; (13)Surface Tension: 47.5 dyne/cm; (14)Density: 1.5 g/cm³; (15)Flash Point: 149.4 °C; (16)Enthalpy of Vaporization: 54.29 kJ/mol; (17)Boiling Point: 323.4 °C at 760 mmHg; (18)Vapour Pressure: 0.000495 mmHg at 25°C.

Preparation: this chemical can be prepared by 1H-imidazole and Bis(4-bromphenyl)jodoniumborfluorid. This reaction is a kind of Arylation. It will need reagent K₂CO₃, Bu₄(1+)*I(1-) and cobalt(II) acetate and solvent dimethylformamide. The reaction time is 6 hours with reaction temperature of 80 °C. The yield is about 74%.

Uses of 1H-Imidazole,1-(4-bromophenyl)-: it can be used to produce 3-benzo[1,3]dioxol-5-yl-2-(4-imidazol-1-yl-phenyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one at temperature of 89 °C. This reaction will need reagent Pd₂dba₃, biphenyl-2-yldi-tert-butylphosphane, t-BuONa and solvent dioxane with reaction time of 17 hours. The yield is about 20%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1N2C=CN=C2)Br
(2)InChI: InChI=1S/C9H7BrN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
(3)InChIKey: SERULNRLZWOYPK-UHFFFAOYSA-N