ChemicalBook--->CAS DataBase List--->2050-47-7

2050-47-7

2050-47-7 Structure

2050-47-7 Structure
IdentificationMore
[Name]

Bis(4-bromophenyl) ether
[CAS]

2050-47-7
[Synonyms]

4,4'-DIBROMODIPHENYL ETHER
4,4'-DIBROMODIPHENYL OXIDE
4,4'-DIBROMOPHENYL ETHER
4-BROMOPHENYL ETHER
BIS(4-BROMOPHENYL) ETHER
BIS(P-BROMOPHENYL)ETHER
DI-(P-BROMOPHENYL)ETHER
1,1’-oxybis(4-bromo-Benzene
1,1’-oxybis[4-bromo-benzen
1-Bromo-4-(4-bromophenoxy)benzene
Benzene, 1,1'-oxybis[4-bromo-
Bis-(4-bromphenyl)-ether
Bis(bromophenyl) ether
di(4-Bromophenyl)ether
Diphenyl ether, 4,4'-dibromo
Ether, bis(4-bromophenyl)
Ether, bis(p-bromophenyl)
ether,bis(4-bromophenyl)
p,p’-Dibromodiphenylether
p,p'-Dibromodiphenyl ether
[EINECS(EC#)]

218-090-7
[Molecular Formula]

C12H8Br2O
[MDL Number]

MFCD00000095
[Molecular Weight]

328
[MOL File]

2050-47-7.mol
Chemical PropertiesBack Directory
[Appearance]

Tan or light crystalline
[Melting point ]

61-63 °C(lit.)
[Boiling point ]

338-340 °C(lit.)
[density ]

1.6728 (rough estimate)
[refractive index ]

1.6260 (estimate)
[Fp ]

338-340°C
[storage temp. ]

2-8°C
[solubility ]

Methanol (Slightly)
[form ]

Crystalline
[color ]

White
[Water Solubility ]

Soluble in water.
[InChI]

InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
[InChIKey]

YAWIAFUBXXPJMQ-UHFFFAOYSA-N
[SMILES]

O(C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1
[CAS DataBase Reference]

2050-47-7(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Bromophenyl ether(2050-47-7)
[EPA Substance Registry System]

2050-47-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,Xn,N
[Risk Statements ]

R33:Danger of cumulative effects.
R67:Vapors may cause drowsiness and dizziness.
R65:Harmful: May cause lung damage if swallowed.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R38:Irritating to the skin.
R11:Highly Flammable.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S60:This material and/or its container must be disposed of as hazardous waste .
[RIDADR ]

UN 1262 3/PG 2
[WGK Germany ]

3
[RTECS ]

KN0175000
[TSCA ]

Yes
[HS Code ]

29093090
[Storage Class]

11 - Combustible Solids
[Toxicity]

LD50 ipr-mus: 125 mg/kg NTIS** AD277-689
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diphenyl ether-->4-Bromophenol-->1,2-Dichloroethane-->Water
[Preparation Products]

4,4'-Oxydiphenol-->4-Phenoxyphenylboronic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Bis(4-bromophenyl) ether(2050-47-7).msds
Hazard InformationBack Directory
[Chemical Properties]

Tan or light crystalline
[Uses]

PBDE 15 is a polybrominated di-?Ph ether (PBDE), which is a flame retardant often incorporated into many polymers. PBDEs are an environmental pollutant that exhibit potential health risks to humans and wildlife.
[Safety Profile]

Poison by intraperitoneal route. When heated todecomposition it emits toxic fumes of Br-.
[Synthesis]

Diphenyl ether

101-84-8

Bis(4-bromophenyl) ether

2050-47-7

The general procedure for the synthesis of 4,4'-dibromodiphenyl ether from diphenyl ether was as follows: in a four-necked round-bottomed flask fitted with a stirrer, condenser, dropping funnel and thermometer, diphenyl ether (170 g, 1.0 mol), 1,2-dichloroethane (EDC) (300 ml), water (200 ml) and NaBrO3 (55 g, 0.36 mol) were added. Bromine (176 g, 1.1 mol) was slowly added dropwise to the stirred mixture for 1 h at 25 °C. No significant HBr gas was released during the reaction. The reaction progress was monitored by gas chromatography (GC). After two hours of reaction, the diphenyl ether was completely converted to 4,4'-dibromodiphenyl ether. The reaction was stopped and the phases were separated to give the crude product 4,4'-dibromodiphenyl ether (324.8 g) in 99% yield and 99.5% selectivity.

[References]

[1] Patent: EP429975, 1991, A1
[2] Angewandte Chemie - International Edition, 2018, vol. 57, # 20, p. 5938 - 5942
[3] Angew. Chem., 2018, vol. 130, p. 6044 - 6049,6
[4] Monatshefte fuer Chemie, 1992, vol. 123, # 12, p. 1153 - 1162
[5] Patent: EP429975, 1991, A1
Spectrum DetailBack Directory
[Spectrum Detail]

Bis(4-bromophenyl) ether(2050-47-7)MS
Bis(4-bromophenyl) ether(2050-47-7)1HNMR
Bis(4-bromophenyl) ether(2050-47-7)13CNMR
Bis(4-bromophenyl) ether(2050-47-7)IR1
Bis(4-bromophenyl) ether(2050-47-7)IR2
Bis(4-bromophenyl) ether(2050-47-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Bis(4-bromophenyl) ether, 96%(2050-47-7)
[Alfa Aesar]

Bis(4-bromophenyl) ether, 99+%(2050-47-7)
[Sigma Aldrich]

2050-47-7(sigmaaldrich)
[TCI AMERICA]

Bis(4-bromophenyl) Ether,>97.0%(GC)(2050-47-7)
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