Bromotriphenylethylene

The Bromotriphenylethylene, with the CAS registry number 1607-57-4, is also known as Triphenylethylene bromide. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS number is 216-531-8. This chemical's molecular formula is C₂₀H₁₅Br and molecular weight is 335.24. What's more, its systematic name is 1,1',1''-(2-Bromo-1,1,2-ethenetriyl)tribenzene. Its classification code is Reproductive Effect. This chemical is stable at common pressure and temperature and it should be protected from strong oxides. It is used as an organic synthesis intermediate. When using it, you must avoid contact with skin and eyes. 

Physical properties of Bromotriphenylethylene are: (1)ACD/LogP: 4.896; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.90; (4)ACD/LogD (pH 7.4): 4.90; (5)ACD/BCF (pH 5.5): 3099.36; (6)ACD/BCF (pH 7.4): 3099.36; (7)ACD/KOC (pH 5.5): 10981.13; (8)ACD/KOC (pH 7.4): 10981.13; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 93.061 cm³; (14)Molar Volume: 255.629 cm³; (15)Polarizability: 36.892×10^-24cm³; (16)Surface Tension: 46.9 dyne/cm; (17)Density: 1.311 g/cm³; (18)Flash Point: 213.591 °C; (19)Enthalpy of Vaporization: 62.537 kJ/mol; (20)Boiling Point: 399.936 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by triphenylethene at the ambient temperature. This reaction will need reagents benzeneseleninyl chloride, AlBr₃ and solvent CH₂Cl₂ with the reaction time of 3 hours. The yield is about 97%.

Uses of Bromotriphenylethylene: it can be used to produce phenoxy-1 triphenyl-1,2,2 ethylene at the temperature of 220 °C. It will need reagent NaOH and various solvent(s) with the reaction time of 100 hours. The yield is about 66%.

You can still convert the following datas into molecular structure:
(1)SMILES: Br/C(=C(\c1ccccc1)c2ccccc2)c3ccccc3
(2)Std. InChI: InChI=1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
(3)Std. InChIKey: VUQVJIUBUPPCDB-UHFFFAOYSA-N