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Bromotriphenylethylene

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Name

Bromotriphenylethylene

EINECS 216-531-8
CAS No. 1607-57-4 Density 1.311 g/cm3
PSA 0.00000 LogP 5.99810
Solubility Insoluble in water Melting Point 115-117 °C(lit.)
Formula C20H15Br Boiling Point 399.936 °C at 760 mmHg
Molecular Weight 335.243 Flash Point 213.591 °C
Transport Information N/A Appearance light yellow crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 1607-57-4 (Bromotriphenylethylene) Hazard Symbols N/A
Synonyms

Ethylene,bromotriphenyl- (6CI,7CI,8CI);1,2,2-Triphenylvinyl bromide;1-Bromo-1,2,2-triphenylethene;1-Bromotriphenylethylene;2-Bromo-1,1,2-triphenylethene;Bromotriphenylethene;NSC 38797;Triphenylethenyl bromide;Triphenylethylene bromide;Triphenylvinyl bromide;

Article Data 18

Bromotriphenylethylene Specification

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%.

Bromotriphenylethylene can be prepared by triphenylethene at the ambient temperature

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%.

Bromotriphenylethylene can be used to produce phenoxy-1 triphenyl-1,2,2 ethylene at the temperature of 220 °C

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  

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