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1,2-Dibromo-1,2-diphenylethane

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Name

1,2-Dibromo-1,2-diphenylethane

EINECS 227-324-7
CAS No. 5789-30-0 Density 1.613 g/cm3
PSA 0.00000 LogP 5.25880
Solubility N/A Melting Point 235-241 °C
Formula C14H12Br2 Boiling Point 323.8 °C at 760 mmHg
Molecular Weight 340.057 Flash Point 173.2 °C
Transport Information 3335 Appearance White to light yellow-orange powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5789-30-0 (1,2-Dibromo-1,2-diphenylethane) Hazard Symbols IrritantXi
Synonyms

(1,2-Dibromo-2-phenylethyl)benzene;1,1'-(1,2-Dibromoethane-1,2-diyl)dibenzene;Bibenzyl, α,α'-dibromo;

Article Data 3

1,2-Dibromo-1,2-diphenylethane Specification

The Benzene,1,1'-(1,2-dibromo-1,2-ethanediyl)bis-, with the CAS registry number 5789-30-0, is also known as (1,2-Dibromo-2-phenylethyl)benzene. Its EINECS number is 227-324-7. This chemical's molecular formula is C14H12Br2 and molecular weight is 340.05. What's more, its systematic name is 1,1'-(1,2-dibromoethane-1,2-diyl)dibenzene.

Physical properties of Benzene,1,1'-(1,2-dibromo-1,2-ethanediyl)bis- are: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.39; (4)ACD/LogD (pH 7.4): 5.39; (5)ACD/BCF (pH 5.5): 7323.21; (6)ACD/BCF (pH 7.4): 7323.21; (7)ACD/KOC (pH 5.5): 20320.96; (8)ACD/KOC (pH 7.4): 20320.96; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 75.75 cm3; (15)Molar Volume: 210.8 cm3; (16)Polarizability: 30.03×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.613 g/cm3; (19)Flash Point: 173.2 °C; (20)Enthalpy of Vaporization: 54.33 kJ/mol; (21)Boiling Point: 323.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000484 mmHg at 25°C.

Preparation: this chemical can be prepared by cis-1,2-diphenyl-ethene at the ambient temperature. This reaction will need reagents iodosobenzene, HBr-silica gel and solvent solid with the reaction time of 5 min. The yield is about 58%.

Benzene,1,1'-(1,2-dibromo-1,2-ethanediyl)bis- can be prepared by cis-1,2-diphenyl-ethene at the ambient temperature

Uses of Benzene,1,1'-(1,2-dibromo-1,2-ethanediyl)bis-: it can be used to produce trans-1,2-diphenyl-ethene at the ambient temperature. It will need reagents Na2S2O4, NaHCO3 and solvent dimethylformamide with the reaction time of 16 hours. The yield is about 94%.

Uses of Benzene,1,1'-(1,2-dibromo-1,2-ethanediyl)bis- can be used to produce trans-1,2-diphenyl-ethene at the ambient temperature

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. When using it, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(c1ccccc1)C(Br)c2ccccc2
(2)Std. InChI: InChI=1S/C14H12Br2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H
(3)Std. InChIKey: GKESIQQTGWVOLH-UHFFFAOYSA-N

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