Bis(4-bromophenyl) ether

Reported in EPA TSCA Inventory.

The Bis(4-bromophenyl) ether, with its CAS registry number 2050-47-7, has the IUPAC name of 1-bromo-4-(4-bromophenoxy)benzene. As to its usage, it is usually applied as the organic synthesis intermediate, and it could also be used as diphenyl Ethers for High-Performance Polymer Research and reagent for high-performance polymer research.

The physical properties of this chemical are as below: (1)ACD/LogP: 6.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.01; (4)ACD/LogD (pH 7.4): 6.01; (5)ACD/BCF (pH 5.5): 21756.96; (6)ACD/BCF (pH 7.4): 21756.96; (7)ACD/KOC (pH 5.5): 44303.56; (8)ACD/KOC (pH 7.4): 44303.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 68.07 cm³; (15)Molar Volume: 192.3 cm³; (16)Polarizability: 26.98×10^-24 cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.704 g/cm³; (19)Flash Point: 140.3 °C; (20)Enthalpy of Vaporization: 55.93 kJ/mol; (21)Boiling Point: 339 °C at 760 mmHg; (22)Vapour Pressure: 0.000186 mmHg at 25°C; (23)Exact Mass: 327.892143; (24)MonoIsotopic Mass: 325.89419; (25)Topological Polar Surface Area: 9.2; (26)Heavy Atom Count: 15; (27)Complexity: 162.

Production method of this chemical: diphenyl ether could react to produce Bis(4-bromophenyl) ether. This reaction could happen in the presence of the CS₂ and bromine.

Use of this chemical: Bis(4-bromophenyl) ether could react to produce (4-bromo-phenyl)-(4-iodo-phenyl)-ether. This reaction could happen in the presence of the reagent of TMEDA, 1.6 M nBuLi, I₂ and the solvent of diethyl ether and hexane. And it has the yield of 66%.

When you are dealing with this kind of chemical, you should be cautious. For one thing, it is harmful which may cause damage to health. And this is irritating to skin and may have danger of cumulative effects. Besides, being very toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment. For another thing, it is dangerous for the environment which may present an immediate or delayed danger to one or more components of the environment. In addition, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source. And it has a very low flash point or evolve highly flammable gases in contact with water. What's more, it may cause lung damage if swallowed and the vapours may cause drowsiness and dizziness.

Therefore, you shuold avoid contacting with skin and eyes. If swallowed, do not induce vomiting, and you should seek medical advice immediately and show this container or label. Besides, avoid releasing to the environment and you could also refer to special instructions/safety data sheet. When store it, remember that this material and its container must be disposed of as hazardous waste. 

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1OC2=CC=C(C=C2)Br)Br
(2)InChI: InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
(3)InChIKey: YAWIAFUBXXPJMQ-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	125mg/kg (125mg/kg)		National Technical Information Service. Vol. AD277-689,
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 16, 1953.