Decabromodiphenyl ether

Product Information

Molecular Formula:
C12Br10O
Molecular Weight:
959
Description
Decabromodiphenyl oxide is a white to off-white powder with a chemical odor.
Synonyms
Pentabromophenyl ether
IUPAC Name
1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene
Canonical SMILES
C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
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
InChI Key
WHHGLZMJPXIBIX-UHFFFAOYSA-N
Boiling Point
Decomposes at 425 °C
Melting Point
>300 °C
Purity
99%
Density
3
Solubility
less than 1 mg/mL at 68 °F
Appearance
Yellow prisms from toluene
Application
Used in high impact polystyrene and other polymers; Used as a flame retardant in thermoplastic resins, thermoset resins, textiles, and adhesives; Used as flame retardants since the 1970s in carpet lining, mattresses, chairs and sofas (polyurethane foam), and casings for televisions and computers; 209 congeners of polybrominated diphenyl ethers (PBDEs) exist, but only 13 are usually found in commercial mixtures; Electronic recycling workers have increased blood levels.
Stability
Stable under recommended storage conditions.
LogP
log Kow = 9.97 /HPLC method
Vapor Pressure
less than 1 mmHg at 68 °F
Henry's Law Constant
1.19X10-8 atm-cu m/mol at 25 degt C (est)
Decomposition
When heated to decomposition it emits toxic fumes of /hydrogen bromide.
Odor
Odorless

Safety Information

Hazards
H302 H312 H332
Precautionary Statement
P280

Computed Properties

XLogP3
10.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
959.16804 g/mol
Monoisotopic Mass
949.1783 g/mol
Topological Polar Surface Area
9.2Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
345
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

Patents

Publication Number Title Priority Date
CN-114149678-A Thermosetting resin composition, reinforcing material, metal-clad laminate and use thereof 2022-01-10
CN-114085421-A Additive composition, preparation method and application thereof 2021-12-24
CN-114160566-A Mechanochemical method for decomposing hexachlorobenzene by using natural mineral additive 2021-12-24
CN-114058155-A High-thermal-conductivity liquid crystal polymer material and preparation method thereof 2021-12-23
CN-113980373-A Environment-friendly flame-retardant rubber and plastic material and preparation method thereof 2021-12-17
CN-114106433-A High-performance rubber conveyer belt covering rubber and preparation method thereof 2021-12-17
CN-114113410-A Method for detecting tribromoneopentanol and 2, 3-dibromopropanol 2021-12-15
CN-114113411-A Method for simultaneously detecting 5 harmful substances in consumer goods 2021-12-15
CN-113980556-A A2 fire-proof epoxy flame-retardant antistatic floor finish paint and preparation method thereof 2021-12-14
CN-114106612-A Polyurethane flame-retardant antistatic super-wear-resistant finish paint and preparation method thereof 2021-12-14

Literatures

PMID Publication Date Title Journal
35266255 2022-04-01 Decabromodiphenyl ether induces ROS-mediated intestinal toxicity through the Keap1-Nrf2 pathway Journal of biochemical and molecular toxicology
34936917 2022-02-15 BDE-209 induce spermatocytes arrest at early-pachytene stage during meiotic prophase I in mice Toxicology
34757160 2021-12-01 The combined impact of decabromodiphenyl ether and high fat exposure on non-alcoholic fatty liver disease in vivo and in vitro Toxicology
34571075 2021-11-01 AhR-mediated CYP1A1 and ROS overexpression are involved in hepatotoxicity of decabromodiphenyl ether (BDE-209) Toxicology letters
34166751 2021-06-30 Disturbance of the Dlk1-Dio3 imprinted domain may underlie placental Dio3 suppression and extracellular thyroid hormone disturbance in placenta-derived JEG-3 cells following decabromodiphenyl ether (BDE209) exposure Toxicology
33571618 2021-05-15 Short-term exposure of decabromodiphenyl ether in female adult Balb/c mice: Immune toxicity and self-recovery Toxicology letters
33675858 2021-04-01 Regulatory effects of flavonoids luteolin on BDE-209-induced intestinal epithelial barrier damage in Caco-2 cell monolayer model Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
33252648 2021-01-28 In Utero and Lactational Exposure to an Environmentally Relevant Mixture of Brominated Flame Retardants Induces a Premature Development of the Mammary Glands Toxicological sciences : an official journal of the Society of Toxicology
32679240 2020-10-10 Comparative toxicity and liver transcriptomics of legacy and emerging brominated flame retardants following 5-day exposure in the rat Toxicology letters
32207525 2020-06-01 In Utero and Lactational Exposure to Flame Retardants Disrupts Rat Ovarian Follicular Development and Advances Puberty Toxicological sciences : an official journal of the Society of Toxicology
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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