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PENTABROMO BIPHENYL ETHER

Pentabromo biphenyl ether was also used in certain plastics and electrical or electronic components to improve resistance to ignition and flame propagation.
Pentabromo biphenyl ether could be incorporated into polymer formulations where enhanced fire performance was required.
Historically, applications of Pentabromo biphenyl ether included upholstery materials, cushioning products, textiles, and selected industrial plastics.

CAS Number: 32534-81-9
EC Number / EINECS: 251-084-2
Molecular Formula: C12H5Br5O
Molecular Weight: 564.69 g/mol

SYNONYMS:
Pentabromodiphenyl ether, Pentabromobiphenyl ether, Pentabromodiphenyl oxide, PentaBDE, Penta-BDE, PeBDE, Penta, PBDPO, Pentabromophenoxybenzene, Pentabromophenyl ether, PENTABDPE, PBDE Congener 99, BDE-99, PBDE-99, Planelon PB-501, Diphenyl ether, pentabromo derivative, Benzene, 1,1′-oxybis-, pentabromo derivative, Benzene, 1,1′-oxybis-, pentabromo deriv., Pentabromodiphenylether, Pentabromodiphenyl oxide (technical), Pentabromodiphenyl ether (technical mixture), Penta-brominated diphenyl ether, PentaDBE,PentaBDE, Penta-BDE, PeBDE, Penta, PBDPO, Pentabromobiphenyl ether,PENTABDPE,PBDECONGENER99, Planelon PB-501, Ncgc00091436-02, pentabromodiphenyl, PENTABROMOPHENYL ETHER, PENTABROMOBIPHENYLETHER, PENTABROMODIPHENYL ETHER,Pentabromophenoxybenzene, Pentanbromodipehnyl ether, 60348-60-9, 2,2',4,4',5-Pentabromodiphenyl ether,BDE 99,DTXSID9030048,D3A2T91I1E,Benzene, 1,2,4-tribromo-5-(2,4-dibromophenoxy)-, TARDEX 50L, TARDEX 50, Benzene,1,2,4-tribromo-5-(2,4-dibromophenoxy)-, DTXCID404246, Pentabromodiphenyl oxide (technical) (DE 71), 2,2',4,4',5-PENTABROMODIPHENYL OXIDE,Bromkal G 1,1-[2,4-bis(bromanyl)phenoxy]-2,4,5-tris(bromanyl)benzene,Planelon PB 501,Saytex 125,Pentabromophenoxybenzene,1-(2,4-bis(bromanyl)phenoxy)-2,4,5-tris(bromanyl)benzene,CCRIS 4851,PentaDBE,HSDB 7109,EINECS 251-084-2,Pentabromodiphenyl oxide (technical),Benzene, 1,1'-oxybis-, pentabromo deriv,RefChem:859683,Pentabromodiphenyl oxide repackaged,PENTABROMODIPHENYL ETHERS [HSDB],Benzene, 1,1'oxybis, pentabromo deriv.,Benzene, 1,1'-oxybis-,pentabromo deriv.,Benzene, 1,1'-oxybis-, pentabromo deriv.,2,2',4,4',5-Pentabromodiphenyl ether solution,Diphenyl ether, pentabromo derivative,1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene,PBDE 99,BDE-99,Pentabromodiphenyl ether,MFCD04112998,2,2',4,4',5-Pentabromodiphenyl Ether (>80per cent)(Contains ~10per cent 2,2',4,4',5,5'-Hexabromomdip,2,2',4,4',5-Pentabromodiphenyl Ether (>80%)(Contains ~10% 2,2',4,4',5,5'-Hexabromomdiphenyl Ether),PBDE-99,UNII-D3A2T91I1E,2,2,4,4,5-Pentabromodiphenyl ether,DSSTox_CID_4246,2,2',4,4',5-PENTABROMODIPHENYLETHER,DSSTox_RID_77340,PBDE No. 99,DSSTox_GSID_24246,MLS001065585, CHEMBL374400, SCHEMBL14938654, SCHEMBL29367696, CHEBI:81582,BDE No 99, analytical standard,MSK6223,HMS3039F12,PBDE 99 50 |Ig/mL in Nonane,PBDE 99 50 microg/mL in Nonane,Tox21_200156,Tox21_201143, NCGC00091436-01, NCGC00091436-02, NCGC00091436-03, NCGC00091436-04, NCGC00091436-05, NCGC00257710-01, NCGC00258695-01,2,2',4,4',5,-Penabromodiphenyl ether, SMR000568490, CAS-32534-81-9, CAS-60348-60-9, NS00004728, 2,4-dibromophenyl 2,4,5-tribromophenyl ether, C18203, E89249, 2,2',4,4',5-Pentabromdiphenylether, BDE 99, F786109, Q412017, 2,2',4,4',5-Pentabromodiphenyl Ether (>80%) (Contains ~10% 2,2',4,4',5,5'-Hexabromomdiphenyl Ether), PENTABROMODIPHENYL ETHER,PENTABROMOPHENYL ETHER,diphenyl ether, pentabromo derivative,Benzene, 1,1-oxybis-, pentabromo deriv.,pentabromodiphenylether (technical mixture),PENTABROMOBIPHENYLETHER,PBDECONGENER99,PENTA-BROMINATEDDIPHENYLETHER

Pentabromo biphenyl ether is a brominated aromatic compound belonging to the group of polybrominated diphenyl ethers (PBDEs).
Pentabromo biphenyl ether consists of two phenyl rings connected by an ether linkage and contains five bromine atoms within its molecular structure.
The high bromine content gives Pentabromo biphenyl ether a high molecular weight and contributes to its flame-retardant properties.

Pentabromo biphenyl ether is characterized by low water solubility, low vapor pressure, and high chemical stability.
Pentabromo biphenyl ether was historically associated with flame-retardant applications in a variety of polymeric and manufactured materials.
“Pentabromo biphenyl ether” is generally used as a synonym for “pentabromodiphenyl ether (PentaBDE)”, but PentaBDE can refer either to a technical/commercial mixture of several pentabromodiphenyl ether congeners or, in some databases, to the substance identified by CAS 32534-81-9.

ECHA identifies CAS 32534-81-9 / EC 251-084-2 as “Diphenyl ether, pentabromo derivative” and lists BDE-99 (2,2′,4,4′,5-pentabromodiphenyl ether) among its identifiers.
Pentabromo biphenyl ether (also known as pentabromodiphenyl oxide) is a brominated flame retardant which belongs to the group of polybrominated diphenyl ethers (PBDEs).

Pentabromo biphenyl ether is an amber coloured solid, and insoluble in water.
Pentabromo biphenyl ether is a halogenated organic compound and is very unreactive.
Reactivity generally decreases with increased degree of substitution of halogen for hydrogen atoms.

Materials in this group are incompatible with strong oxidising and reducing agents.
Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Pentabromo biphenyl ether was in use as a component of many commonly used flame retardants, including DE-71, Bromkal G1, and other popular mixtures.

Pentabromo biphenyl ether was sold as a flame retardant for unsaturated polyester, rigid and flexible polyurethane foams, epoxies, laminates, adhesives, and coatings.
The PBDEs are used in paint, high-impact plastic, foam, and textiles, as well as in electronic, building, automotive, furniture, and household plastic products.

Pentabromo biphenyl ether is a polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines.
Pentabromo biphenyl ether belongs to the class of organic compounds known as bromodiphenyl ethers.
Bromodiphenyl ethers are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.

USES and APPLICATIONS of PENTABROMO BIPHENYL ETHER:
Pentabromo biphenyl ether was historically used as a flame-retardant additive in polymeric materials.
Pentabromo biphenyl ether was particularly associated with flexible polyurethane foams used in furniture, cushioning materials, and similar products.
Pentabromo biphenyl ether was also used in certain plastics and electrical or electronic components to improve resistance to ignition and flame propagation.

Pentabromo biphenyl ether could be incorporated into polymer formulations where enhanced fire performance was required.
Historically, applications of Pentabromo biphenyl ether included upholstery materials, cushioning products, textiles, and selected industrial plastics.
Pentabromo biphenyl ether's flame-retardant function resulted from the high bromine content, which can interfere with combustion processes and reduce flame propagation.

Pentabromo biphenyl ether is no longer considered a preferred flame-retardant material because of its persistence and environmental and toxicological concerns.
Current applications of Pentabromo biphenyl ether are generally limited by international chemical regulations and restrictions on the production, placing on the market, and use of certain PBDEs.

Pentabromo biphenyl ether may still be encountered in older products and materials manufactured before restrictions were introduced.
For this reason, present-day references to Pentabromo biphenyl ether are often related to environmental monitoring, analytical testing, waste management, and the assessment of legacy materials rather than new product applications.
Pentabromo biphenyl ether was mainly used where reducing the flammability of plastics, textiles, foams, and other combustible materials was required.

ALTERNATIVE PARENTS of PENTABROMO BIPHENYL ETHER:
Diarylethers
Phenoxy compounds
Phenol ethers
Bromobenzenes
Aryl bromides
Organobromides
Hydrocarbon derivatives

SUBSTITUENTS of PENTABROMO BIPHENYL ETHER:
Bromodiphenyl ether
Diaryl ether
Phenoxy compound
Phenol ether
Halobenzene
Bromobenzene
Aryl halide
Aryl bromide
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Organobromide
Organohalogen compound
Aromatic homomonocyclic compound

COMPOSITION, USES, AND PRODUCTION of PENTABROMO BIPHENYL ETHER:
Commercial Pentabromo biphenyl ether is a technical mixture of different PBDE congeners, with BDE-47 (2,2',4,4'- tetrabromodiphenyl ether) and BDE-99 (2,2',4,4',5-pentabromodiphenyl ether) as the most abundant.
The term Pentabromo biphenyl ether alone refers to isomers of pentabromodiphenyl ether (PBDE congener numbers 82-127).
Commercial Pentabromo biphenyl ether is most commonly used as a flame retardant in flexible polyurethane foam; it was also used in printed circuit boards in Asia, and in other applications.

The annual demand worldwide was estimated as 7,500 tonnes in 2001, of which the Americas accounted for 7,100 tonnes, Europe 150 tonnes, and Asia 150 tonnes.
The global industrial demand increased from 4,000 tonnes annually in 1991 to 8,500 tonnes annually in 1999.
As of 2007, "there should be no current production of Pentabromo biphenyl ether in Europe, Japan, Canada, Australia and the US"; however, it is possible that production continues elsewhere in the world

REACTIVITY PROFILE of PENTABROMO BIPHENYL ETHER:
Simple aromatic halogenated organic compounds are very unreactive.
Reactivity generally decreases with increased degree of substitution of halogen for hydrogen atoms.
Materials in this group are incompatible with strong oxidizing and reducing agents.
Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides

PHYSICAL and CHEMICAL PROPERTIES of PENTABROMO BIPHENYL ETHER:
Chemical name: Pentabromodiphenyl ether
Alternative name: Pentabromobiphenyl ether
ECHA substance name: Diphenyl ether, pentabromo derivative
CAS Number: 32534-81-9
EC Number / EINECS: 251-084-2
EC Index Number: 602-083-00-4
Molecular Formula: C12H5Br5O
Molecular Weight: 564.69 g/mol
PubChem CID: 36159 for the pentabromodiphenyl ether group/congener record

Chemical family: Polybrominated diphenyl ethers (PBDEs)
Chemical class: Brominated aromatic ether
Main historical function: Additive flame retardant
Physical character: Highly brominated, hydrophobic, lipophilic, low-volatility organic compound/technical mixture.
Chemical formula: C12H5Br5O
Molar mass: 564.691 g·mol−1
Appearance: Viscous white to amber-colored liquid
Density: 2.25-2.28 g/cm3
Melting point: −7 to 3 °C
Boiling point: Decomposes
Solubility in water: not soluble

CBNumber: CB1687084
Molecular Formula: C12H5Br5O
Molecular Weight: 564.69
MDL Number: MFCD01632343
MOL File: 32534-81-9.mol
Density: 2.25-2.28 g/cm3
Water Solubility: Insoluble (<0.1 g/100 mLat 20.5 ºC)
Stability: Incompatible with strong oxidizing agents.
CAS DataBase Reference: 32534-81-9
EWG's Food Scores: 4

FDA UNII: 7REL09ZX35
EPA Substance Registry System: Pentabromodiphenyl ether (32534-81-9)
Molecular Weight: 564.7 g/mol
XLogP3-AA: 6.9
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 2
Exact Mass: 563.62163 Da
Monoisotopic Mass: 559.62573 Da

Topological Polar Surface Area: 9.2 Å²
Heavy Atom Count: 18
Formal Charge: 0
Complexity: 277
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0

Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Chemical Formula: C12H5Br5O
Average Molecular Weight: 564.688
Monoisotopic Molecular Weight: Not Available
IUPAC Name: 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene
Traditional Name: pentabromodiphenyl ether
SMILES: BrC1=CC(Br)=C(OC2=C(Br)C=C(Br)C(Br)=C2)C=C1
InChI Identifier: InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H
InChI Key: WHPVYXDFIXRKLN-UHFFFAOYSA-N

CAS: 32534-81-9
MF: C12H5Br5O
MW: 564.69
EINECS: 251-084-2
Product Categories: Organics
Mol File: 32534-81-9.mol
density: 2.25-2.28 g/cm3
Water Solubility: Insoluble (<0.1 g/100 mLat 20.5 ºC)
Stability: Incompatible with strong oxidizing agents.
CAS DataBase Reference: 32534-81-9
EPA Substance Registry System: Pentabromodiphenyl ether (32534-81-9)

FIRST AID MEASURES of PENTABROMO BIPHENYL ETHER:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available

ACCIDENTAL RELEASE MEASURES of PENTABROMO BIPHENYL ETHER:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.

FIRE FIGHTING MEASURES of PENTABROMO BIPHENYL ETHER:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2)
Foam
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

EXPOSURE CONTROLS/PERSONAL PROTECTION of PENTABROMO BIPHENYL ETHER:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of PENTABROMO BIPHENYL ETHER:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.

STABILITY and REACTIVITY of PENTABROMO BIPHENYL ETHER:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available

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