Decabromodiphenyl oxide

Iupac Name：1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene

Molecular Weight：959.16800

Modify Date.: 2022-11-10 22:39

Introduction: Decabromodiphenyl ether is a brominated flame retardant that is used in conjunction with antimony trioxide in high impact polystyrene. View more+

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1. Names and Identifiers

1.1 Name: Decabromodiphenyl oxide
1.2 Synonyms: 1,1&rsquo-Oxybis(2,3,4,5,6-Pentabromo-Benzen 1,1’-oxybis(2,3,4,5,6-pentabromo-benzen 1,1’-oxybis[2,3,4,5,6-pentabromo-benzen 1,1'-Oxybis (2,3,4,5,6-pentabromobenzol) 2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether 6,6'-Oxybis(1,2,3,4,5-pentabromobenzene) bde no 209solution BDE-209 Benzene, 1,1-oxybis2,3,4,5,6-pentabromo- br55n dbdpo de83r DECA Decabromodiphenyl ether solution, Decabromodiphenyl oxide Decabromodiphenyl ester DecabroModiphenyl Ether decabromodiphenyl ether solution EINECS 214-604-9 FR-10 fr300 fr300ba FR-300BA (Deca) frp53 MFCD00000059 PBDE209 Pentabromobenzylbromide Perbromodiphenyl Ether

1.3 CAS No.: 1163-19-5

1.4 CID: 14410

1.5 EINECS(EC#): 214-604-9

1.6 Molecular Formula: C12Br10O (isomer)

1.7 Inchi: InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22

1.8 InChkey: WHHGLZMJPXIBIX-UHFFFAOYSA-N

1.9 Canonical Smiles: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

1.10 Isomers Smiles: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

2. Properties

2.1 Density: 3 g/cm3

2.1 Melting point: >300°C(lit.)

2.1 Boiling point: 425°C

2.1 Refractive index: 1.5000 (estimate)

2.1 Flash Point: -12°C

2.1 Precise Quality: 949.17800

2.1 PSA: 9.23000

2.1 logP: 11.10390

2.1 Solubility: <0.0001mg/l

2.2 Appearance: off-white powder with a chemical odor

2.3 Chemical Properties: White solid

2.4 Color/Form: Yellow prisms from toluene

2.5 Water Solubility: <0.1 g/100 mL at 20 oC

2.6 Stability: Stable. Incompatible with strong oxidizing agents.

2.7 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 General Description: White to off-white powder with a chemical odor.

3.2 Potential Exposure: It is used as a fire retardant forthermoplastics and man-made fibers.

3.3 Shipping: UN3077 Environmentally hazardous substances,solid, n.o.s., Hazard class: 9; Labels: 9-Miscellaneoushazardous material, Technical Name Required. UN3152Polyhalogenated biphenyls, solid or Polyhalogenated ter-phenyls, solid, Hazard class: 9; Labels: 9-Miscellaneoushazardous material.

3.4 Usage: Decabromodiphenyl ether is a brominated flame retardant that is used in conjunction with antimony trioxide in high impact polystyrene.

4. Safety and Handling

4.1 Symbol: GHS02, GHS07, GHS08, GHS09

4.1 Hazard Codes: Xn

4.1 Signal Word: Danger

4.1 Risk Statements: R20/21/22

4.1 Safety Statements: S36/37-S62-S61-S60

4.1 Packing Group: II

4.1 Octanol/Water Partition Coefficient: log Kow = 12.11 (est)

4.2 Fire Hazard: Flash point data for Decabromodiphenyl oxide are not available; however, Decabromodiphenyl oxide is probably combustible.

4.3 Hazard Class: 9

4.3 Hazard Declaration: H225-H304-H315-H336-H361d-H373-H410

4.3 DisposalMethods: SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

4.4 RIDADR: 3152

4.4 Safety Profile: Questionable carcinogen with experimental neoplastigenic data. Experimental reproductive effects. Used as a flame retardant for thermoplastics. When heated to decomposition it emits toxic fumes of Br-. See also ETHERS and BROMIDES

4.5 Caution Statement: P201-P210-P273-P301 + P310-P331-P370 + P378

4.5 Formulations/Preparations: Technical product composition: decabromodiphenyl oxide, 77.4%, Nonabromodiphenyl oxide, 21.8%, Octabromodiphenyl oxide, 0.8%.
Usually contains more than 85 wt% decabromodiphenyl oxide.

4.6 Incompatibilities: Incompatible with strong oxidizers (chlo-rates, nitrates, peroxides, permanganates, perchlorates,chlorine, bromine, fluorine, etc.); contact may cause firesor explosions. Keep away from alkaline materials, strongbases, strong acids, oxoacids, and epoxides. Ethers havea tendency to form unstable and explosive peroxides. Decabromodiphenyl oxide Preparation Products And Raw materials Preparation Products

4.7 WGK Germany: 1

4.7 RTECS: KN3525000

4.7 Report: IARC Cancer Review: Group 3 IMEMDT ?? IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 48 ,1990,p. 73.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.:?) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT ?? IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 48 ,1990,p. 73.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.:?) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Studies (feed); Some Evidence: rat NTPTR* ?? National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-309 ,1986. ; (feed); Equivocal Evidence: mouse NTPTR* ?? National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-309 ,1986. . Polybrominated biphenyl compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

4.8 Safety: Questionable carcinogen with experimental neoplastigenic data. Experimental reproductive effects. Used as a flame retardant for thermoplastics. When heated to decomposition it emits toxic fumes of Br^?. See also ETHERS and BROMIDES.?
Hazard Codes:?Xn,Xi,N,F
Risk Statements 20/21/22-67-65-63-50/53-48/20-38-11?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.?
R67:Vapours may cause drowsiness and dizziness.?
R65:Harmful: may cause lung damage if swallowed.?
R63:Possible risk of harm to the unborn child.?
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.?
R48/20:Danger of serious damage to health by prolonged exposure and harmful by inhalation.?
R38:Irritating to skin.?
R11:Highly flammable.
Safety Statements: 36/37-62-61-60?
S36/37:Wear suitable protective clothing and gloves.?
S62:If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.?
S60:This material and its container must be disposed of as hazardous waste.
RIDADR: 3152
WGK Germany: 1
RTECS: KN3525000
Hazard Note: Irritant
HazardClass: 9
PackingGroup: II
HS Code: 29093031

4.9 Specification: ?Decabromobiphenyl ether , its cas register number is 1163-19-5. It also can be called 1,1'-Oxybis(2,3,4,5,6-pentabromobenzene) ; Decabromodiphenyl oxide ;? Ether, bis(pentabromophenyl) .It is a?white to off-white powder with a chemical odor.It insoluble in water.

4.10 Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	skin	> 3gm/kg (3000mg/kg)	?	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(8), Pg. 18, 1983.
rat	LDLo	oral	500mg/kg (500mg/kg)	?	National Technical Information Service. Vol. OTS0522261,

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

IR : KBr disc

IR : nujol mull

7. Synthesis Route

1163-19-5Total: 4 Synthesis Route

101-84-8 247 Suppliers

1163-19-5 281 Suppliers

Literatures:
Golounin, A. V.; Shukhta, T. K.; Kirienko, E. K.; Petrova, M. P.; Esavkin, E. V. Russian Journal of Applied Chemistry, 1994 , vol. 67, # 8.2 p. 1167 - 1169 Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1994 , vol. 67, # 8 p. 1324 - 1327
Yield: ~10%

101-84-8 247 Suppliers

63387-28-0 4 Suppliers

1163-19-5 281 Suppliers

Literatures:
WO2008/27776 A2, ; Page/Page column 14-15 ;
Yield: null

101-84-8 247 Suppliers

437701-78-5 6 Suppliers

63387-28-0 4 Suppliers

437701-79-6 2 Suppliers

1163-19-5 281 Suppliers

Literatures:
ALBEMARLE CORPORATION Patent: WO2008/27776 A2, 2008 ; Location in patent: Page/Page column 8-9 ;
Yield: null

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8. Precursor and Product

precursor:

101-84-8

7727-15-3

product :

118647-52-2

437701-78-5

118647-51-1

63387-28-0

53978-00-0

608-90-2

87-82-1

79-28-7

437701-79-6

9. Other Information

9.0 Chemical Properties: Decabromodiphenyl oxide is a solid white powder at room temperature.

9.1 Uses: Decabromodiphenyl ether is a brominated flame retardant that is used in conjunction with antimony trioxide in high impact polystyrene. DecaBDE is used as an additive flame retardant, and has a variety of applications including in plastics/polymers/composites, textiles, adhesives, sealants, coatings and inks. DecaBDE containing plastics are used in housings of computers and TVs, wires and cables, pipes and carpets. Adverse effects are reported for soil organisms, birds, fish, frog, rat, mice and humans. One of the new POPs under the Stockholm Convention

9.2 BRN: 2188438

9.3 Chemical Properties: White solid

9.4 Chemical Properties: DBDPO is a white to off-white powder. A polybrominated biphenyl.

9.5 Uses: Decabromodiphenyl ether is a brominated flame retardant that is used in conjunction with antimony trioxide in high impact polystyrene.

9.6 General Description: White to off-white powder with a chemical odor.

9.7 Air & Water Reactions: Insoluble in water.

9.8 Reactivity Profile: Decabromodiphenyl oxide is incompatible with strong oxidizers .

9.9 Fire Hazard: Flash point data for Decabromodiphenyl oxide are not available; however, Decabromodiphenyl oxide is probably combustible.

9.10 Safety Profile: Questionable carcinogen with experimental neoplastigenic data. Experimental reproductive effects. Used as a flame retardant for thermoplastics. When heated to decomposition it emits toxic fumes of Br-. See also ETHERS and BROMIDES

9.11 Potential Exposure: It is used as a fire retardant for thermoplastics and man-made fibers.

9.12 First aid: If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, includ- ing resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.

9.13 Shipping: UN3077 Environmentally hazardous substances, solid, n.o.s., Hazard class: 9; Labels: 9-Miscellaneous hazardous material, Technical Name Required. UN3152 Polyhalogenated biphenyls, solid or Polyhalogenated ter- phenyls, solid, Hazard class: 9; Labels: 9-Miscellaneous hazardous material.

9.14 Incompatibilities: Incompatible with strong oxidizers (chlo- rates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, and epoxides. Ethers have a tendency to form unstable and explosive peroxides.

10. Computational chemical data

Molecular Weight: 959.16800g/mol
Molecular Formula: C₁₂Br₁₀O
Compound Is Canonicalized: True
XLogP3-AA: 10.4
Exact Mass: 959.16804
Monoisotopic Mass: 949.1783
Complexity: 345
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 9.2
Heavy Atom Count: 23
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcQBwIAAAHAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAACgBAAAABqAQAkAAABoAABACAAABAAAACCAAgIAQAiAAECKgMJiKEMBqCOCCkwBEIqheAQAAAABAEAIAgBAEAIAgBAEAIAgAAAAAAAA==

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Decabromodiphenyl Oxide CAS 1163-19-5