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| CAS No.: | 1163-19-5 |
|---|---|
| Name: | Decabromodiphenyl oxide |
| Article Data: | 16 |
| Molecular Structure: | |
|
|
|
| Formula: | C12Br10O |
| Molecular Weight: | 959.171 |
| Synonyms: | Ether,bis(pentabromophenyl) (7CI,8CI);2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether;AFR 1021;Adine 505;BDE 209;BR 55N;Berkflam B 10E;Bis(pentabromophenyl) ether;Bromkal 81;Bromkal82-0DE;Bromkal 83-10DE;Caliban F/R-P 39P;Decabrom;Decabromobiphenyl ether; |
| EINECS: | 214-604-9 |
| Density: | 2.98 g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Boiling Point: | 572.3 °C at 760 mmHg |
| Flash Point: | 241.4 °C |
| Solubility: | <0.1 g/100 mL at 20 °C in water |
| Appearance: | off-white powder with a chemical odor |
| Hazard Symbols: |
 Xn, Xi, N, F
|
| Risk Codes: | 20/21/22-67-65-63-50/53-48/20-38-11 |
| Safety: | 36/37-62-61-60 |
| Transport Information: | 3152 |
| PSA: | 9.23000 |
| LogP: | 11.10390 |
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| Conditions | Yield |
|---|---|
| With aluminum tri-bromide; bromine for 3h; Heating; | 98% |
| With aluminum tri-bromide; bromine | |
| Stage #1: diphenylether With bromine at 25 - 58℃; for 1.66667 - 2.13333h; Stage #2: With bromine; aluminum (III) chloride at 55 - 60℃; for 6.38333 - 6.5h; Product distribution / selectivity; |
- 101-84-8
diphenylether
- 7726-95-6
bromine
- 7727-15-3
aluminium bromide
- 1163-19-5
2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether
- 101-84-8
diphenylether
A
- 437701-78-5
2,2',3,3',4,5,5',6,6'-nonabromodiphenyl ether
B
- 63387-28-0
nonabromodiphenyl ether
C
- 437701-79-6
BDE-207
D
- 1163-19-5
2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether
| Conditions | Yield |
|---|---|
| With bromine; aluminum (III) chloride at 55 - 61℃; for 6.25h; Product distribution / selectivity; | A n/a B 0.24 %Chromat. C n/a D 99.54 %Chromat. |
| Stage #1: diphenylether With bromine for 0.416667 - 1.41667h; Heating / reflux; Stage #2: With bromine; aluminum (III) chloride at 56.1 - 59℃; for 7.13333 - 9.78333h; Product distribution / selectivity; | A n/a B 0.031 - 0.205 %Chromat. C n/a D 99.90 - 99.95 %Chromat. |
| Stage #1: diphenylether With bromine at 40℃; Stage #2: With bromine; aluminum (III) chloride at 56.9 - 60.4℃; for 1.83333 - 1.85h; Product distribution / selectivity; | A n/a B 0.181 - 0.220 %Chromat. C n/a D 99.634 - 99.696 %Chromat. |
- 101-84-8
diphenylether
A
- 63387-28-0
nonabromodiphenyl ether
B
- 1163-19-5
2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether
| Conditions | Yield |
|---|---|
| Stage #1: diphenylether With bromine at 40℃; Stage #2: With bromine; aluminum (III) chloride at 56.5 - 78.4℃; under 1385.82 - 1458.22 Torr; for 3.65 - 4.36667h; Product distribution / selectivity; | A 0.233 - 0.526 %Chromat. B 99.44 - 99.70 %Chromat. |
- 101-84-8
diphenylether
A
- 437701-78-5
2,2',3,3',4,5,5',6,6'-nonabromodiphenyl ether
B
- 437701-79-6
BDE-207
C
- 918947-03-2
C12Br9ClO
F
- 1163-19-5
2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether
| Conditions | Yield |
|---|---|
| With bromine; bromine chloride; aluminum (III) chloride at 55 - 57℃; for 2.23333h; Product distribution / selectivity; Heating / reflux; | A n/a B n/a C n/a D n/a E n/a F 97.2 %Chromat. |
- 101-84-8
diphenylether
A
- 437701-78-5
2,2',3,3',4,5,5',6,6'-nonabromodiphenyl ether
B
- 63387-28-0
nonabromodiphenyl ether
C
- 437701-79-6
BDE-207
D
- 918947-03-2
C12Br9ClO
G
- 1163-19-5
2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether
| Conditions | Yield |
|---|---|
| With bromine; bromine chloride; aluminum (III) chloride at 56℃; for 0.0666667h; Product distribution / selectivity; Heating / reflux; | A n/a B 0.14 %Chromat. C n/a D n/a E n/a F n/a G 99.29 %Chromat. |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; palladium diacetate; triphenylphosphine In isopropyl alcohol at 81.9℃; for 5h; Product distribution; Mechanism; other aromatic mono- and polyhalides, var. solvents, transition metal salt, ligands, temperature, and reaction time; | 92% |
| With methanol; gold; hydrogen; caesium carbonate at 100℃; under 3800.26 Torr; for 96h; | 89% |
| With cadmium selenide; triethylamine In N,N-dimethyl-formamide at 20℃; for 24h; Irradiation; Sealed tube; | 54% |
| With 2 wt.% Pd/TiO2 In tetrahydrofuran; methanol for 1h; Catalytic behavior; Kinetics; Reagent/catalyst; UV-irradiation; Inert atmosphere; Darkness; | 15.7% |
| With borane-ammonia complex In water; isopropyl alcohol at 50℃; for 12h; Sealed tube; | 97 %Chromat. |
- 1163-19-5
2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether
A
- 79-28-7
1,1,2,2-tetrabromoethene
B
- 608-90-2
pentabromobenzene
C
- 87-82-1
hexabromobenzene
D
- 118647-51-1
hexabromobenzofuran
| Conditions | Yield |
|---|---|
| thermolysis; Further byproducts given; | A n/a B 0.5% C 5% D 0.1% |
- 1163-19-5
2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether
A
- 53978-00-0
hexabromo-1,3-butadiene
B
- 608-90-2
pentabromobenzene
C
- 87-82-1
hexabromobenzene
D
- 118647-51-1
hexabromobenzofuran
| Conditions | Yield |
|---|---|
| thermolysis; Further byproducts given; | A n/a B 0.5% C 5% D 0.1% |
- 1163-19-5
2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether
A
- 608-90-2
pentabromobenzene
B
- 87-82-1
hexabromobenzene
C
- 118647-51-1
hexabromobenzofuran
D
- 118647-52-2
octabromostyrene
| Conditions | Yield |
|---|---|
| thermolysis; Further byproducts given; | A 0.5% B 5% C 0.1% D n/a |
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Chemistry
Molecular structure of Decabromobiphenyl ether (CAS NO.1163-19-5) is:
Product Name: Decabromobiphenyl ether
CAS Registry Number: 1163-19-5
IUPAC Name: 1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene
Molecular Weight: 959.1678 [g/mol]
Molecular Formula: C12Br10O
XLogP3-AA: 10.4
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 214-604-9
Melting Point: >300 °C(lit.)
Storage temp.: 2-8 °C
Water Solubility: <0.1 g/100 mL at 20 °C
Stability: Stable. Incompatible with strong oxidizing agents.
Surface Tension: 62 dyne/cm
Density: 2.98 g/cm3
Flash Point: 241.4 °C
Enthalpy of Vaporization: 82.61 kJ/mol
Boiling Point: 572.3 °C at 760 mmHg
Vapour Pressure: 1.64E-12 mmHg at 25°C
Product Categories: Organics;Biphenyl & Diphenyl ether;Diphenyl Ethers (for High-Performance Polymer Research);Functional Materials;Reagent for High-Performance Polymer Research
Uses
Decabromobiphenyl ether (CAS NO.1163-19-5) is an unreactive, additive flame retardant widely used for its thermal stability and its low cost in thermoplastic resins, thermoset resins, textiles and adhesives. The major applications are in high impact polystyrene, glass reinforced thermoplastic polyester and moulding resins, low density polyethylene extrusion coatings, polypropylene (homo- and copolymers), acrylonitrile butadiene styrene rubber, nylon and polyvinyl chloride.
Toxicity Data With Reference
| 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, |
Consensus Reports
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.
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.
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
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.