1-Bromo-3,5-diphenylbenzene

The 1-Bromo-3,5-diphenylbenzene, with the CAS registry number 103068-20-8, is also known as (3,5-Diphenylphenyl) bromo benzene. This chemical's molecular formula is C₁₈H₁₃Br and molecular weight is 309.1998. Its systematic name is called 5'-bromo-1,1':3',1''-terphenyl.

Physical properties of 1-Bromo-3,5-diphenylbenzene: (1)ACD/LogP: 6.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 61473; (6)ACD/BCF (pH 7.4): 61473; (7)ACD/KOC (pH 5.5): 93180; (8)ACD/KOC (pH 7.4): 93180; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.622; (11)Molar Refractivity: 83.127 cm³; (12)Molar Volume: 236.188 cm³; (13)Surface Tension: 42.906 dyne/cm; (14)Density: 1.309 g/cm³; (15)Flash Point: 192.162 °C; (16)Enthalpy of Vaporization: 62.669 kJ/mol; (17)Boiling Point: 401.13 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 1-Bromo-3,5-diphenylbenzene: this chemical can be prepared by 1,3,5-tribromo-2-iodo-benzene and phenylmagnesium bromide. This reaction will need solvent tetrahydrofuran. The reaction time is 1.5 hours. The yield is about 80%.

Uses of 1-Bromo-3,5-diphenylbenzene: it can be used to produce tetrakis-[1,1';3',1'']terphenyl-5'-yl-phosphonium; bromide at temperature of 200 °C. This reaction will need reagent NiBr₂ with reaction time of 24 hours. The yield is about 67%.

 

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc(cc(c1ccccc1)c2)c3ccccc3
(2)InChI: InChI=1/C18H13Br/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H
(3)InChIKey: IOPQERQQZZREDR-UHFFFAOYAK