1,2-Bis(pentabromophenyl) ethane
- Iupac Name：1,2,3,4,5-pentabromo-6-[2-(2,3,4,5,6-pentabromophenyl)ethyl]benzene
- CAS No.: 84852-53-9
- Molecular Weight：441.7837
- Modify Date.: 2022-10-31 06:24
- Introduction: Decabromodiphenyl ethane [DBDPEthane] is a brominated flame retardant used as an additive in a variety of polymer and textile applications. In polymeric applications, such as high impact polystyrene,DBDPEthane is compounded or blended into the resin. The resulting DBDPEthane containing plastics are then converted to finished products by, for example, injection molding. For textile applications, DBDPEthane is blended with various latices and applied as a back coating to the textile.
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1. Names and Identifiers
- 1.1 Name
- 1,2-Bis(pentabromophenyl) ethane
- 1.2 Synonyms
1,2,3,4,5-pentabromo-6-[2-(2,3,4,5,6-pentabromophenyl)ethyl]benzene 1,2-BIS(PENTABROMOPHE 1,2-Bis(perbroMophenyl)ethane Decabromodiphenyl Ethane Decabromodiphenyl Ethyle DECABROMODIPHENYLETHANE DODPE EINECS 284-366-9 Environmental flame retardant powder FR-RDT 3 MFCD06407713
- 1.3 CAS No.
- 84852-53-9
- 1.4 CID
- 10985889
- 1.5 EINECS(EC#)
- 284-366-9
- 1.6 Molecular Formula
- C14H4Br10 (isomer)
- 1.7 Inchi
- InChI=1S/C14H4Br10/c15-5-3(6(16)10(20)13(23)9(5)19)1-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2
- 1.8 InChkey
- BZQKBFHEWDPQHD-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C(CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br
- 1.10 Isomers Smiles
- C(CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br
2. Properties
- 2.1 Density
- 2.816
- 2.1 Melting point
- 345℃
- 2.1 Boiling point
- 676.2oC at 760 mmHg
- 2.1 Refractive index
- 1.727
- 2.1 Flash Point
- 346.6oC
- 2.1 Precise Quality
- 961.21500
- 2.1 PSA
- 0.00000
- 2.1 logP
- 11.09680
- 2.1 Appearance
- White Powder
- 2.2 Odor
- Odorless
- 2.3 Water Solubility
- slightly soluble in alcohol, ether, almost insoluble in water.
- 2.4 StorageTemp
- Sealed in dry,Room Temperature
3. Use and Manufacturing
- 3.1 Environmental Fate
- Decabromodiphenyl ethane’s physicochemical properties suggest that it will partition predominantly in sediment and soil through binding to the organic fraction of particulate matter. In the EA environmental risk assessment, it concluded that DBDPEthane is unlikely to rapidly undergo photodegradation in the presence of hydroxyl radicals, it is not readily biodegradable in the aquatic environment under aerobic conditions, and it is not hydrolysable (no hydrolysable groups) (Dungey and Akintoye, 2007). No data were available to assess the biodegradation under anaerobic conditions [e.g., wastewater treatment plants (WWTPs) or in sediments]; the EA noted the possibility of reductive debromination under these conditions.The potential for DBDPEthane to bioconcentrate was evaluated in an 8-week fish bioconcentration study (Dungey and Akintoye, 2007). When fish were exposed to DBDPEthane at concentrations of 0.5 and 0.05mg/l, the respective fish bioconcentration factors (BCFs) were <2.5 and <25 l/kg wet weight (ww), respectively. Since the water concentrations used exceeded DBDPEthane’s water solubility, the dissolved concentration was unknown. The EA appropriately considered this study invalid. No additional BCF studies are available; however, based on the physicochemical properties, lowtoxicity in acute and repeated dose mammalian, aquatic, and terrestrial studies, it is unlikely that DBDPEthane will bioaccumulate. 1,2-Bis(pentabromophenyl) ethaneSupplier
- 3.2 Usage
- Decabromodiphenyl ethane [DBDPEthane] is a brominated flame retardant used as an additive in a variety of polymer and textile applications. In polymeric applications, such as high impact polystyrene,DBDPEthane is compounded or blended into the resin. The resulting DBDPEthane containing plastics are then converted to finished products by, for example, injection molding. For textile applications, DBDPEthane is blended with various latices and applied as a back coating to the textile.
4. Safety and Handling
- 4.1 RTECS
- DA0358200
- 4.1 Safety
-
Safety Information of?Decabromodiphenyl Ethane(RDT-3) (CAS NO.84852-53-9):
RTECS: DA0358200
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
6. Other Information
- 6.0 Chemical Properties
- Decabromodiphenyl ethane is a powder with a high molecular weight, very low water solubility, and low lipophilicity (as indicated by log Kow). The particles are <15 μm in diameter, and thus, this substance is expected to be respirable after inhalation exposure.
- 6.1 Uses
- Decabromodiphenyl ethane [DBDPEthane] is a brominated flame retardant used as an additive in a variety of polymer and textile applications. In polymeric applications, such as high impact polystyrene,DBDPEthane is compounded or blended into the resin. The resulting DBDPEthane containing plastics are then converted to finished products by, for example, injection molding. For textile applications, DBDPEthane is blended with various latices and applied as a back coating to the textile.
- 6.2 Uses
- Decabromodiphenylethane is an brominated flame retardant used in thermoplastics, thermosets, textiles and coatings that inhibit or resist the spread of fire.
- 6.3 Uses
- Decabromodiphenylethane is a brominated flame retardant used in thermoplastics, thermosets, textiles and coatings that inhibit or resist the spread of fire.
- 6.4 Environmental Fate
- Decabromodiphenyl ethane’s physicochemical properties suggest that it will partition predominantly in sediment and soil through binding to the organic fraction of particulate matter. In the EA environmental risk assessment, it concluded that DBDPEthane is unlikely to rapidly undergo photodegradation in the presence of hydroxyl radicals, it is not readily biodegradable in the aquatic environment under aerobic conditions, and it is not hydrolysable (no hydrolysable groups) (Dungey and Akintoye, 2007). No data were available to assess the biodegradation under anaerobic conditions [e.g., wastewater treatment plants (WWTPs) or in sediments]; the EA noted the possibility of reductive debromination under these conditions.
The potential for DBDPEthane to bioconcentrate was evaluated in an 8-week fish bioconcentration study (Dungey and Akintoye, 2007). When fish were exposed to DBDPEthane at concentrations of 0.5 and 0.05mg/l, the respective fish bioconcentration factors (BCFs) were <2.5 and <25 l/kg wet weight (ww), respectively. Since the water concentrations used exceeded DBDPEthane’s water solubility, the dissolved concentration was unknown. The EA appropriately considered this study invalid. No additional BCF studies are available; however, based on the physicochemical properties, lowtoxicity in acute and repeated dose mammalian, aquatic, and terrestrial studies, it is unlikely that DBDPEthane will bioaccumulate.
7. Computational chemical data
- Molecular Weight: 441.7837g/mol
- Molecular Formula: C14H4Br10
- Compound Is Canonicalized: True
- XLogP3-AA: 11.1
- Exact Mass: 971.20443
- Monoisotopic Mass: 961.2147
- Complexity: 352
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Topological Polar Surface Area: 0
- Heavy Atom Count: 24
- 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: AAADcYBwAAAAHAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGABAAAABrACAGAAAAIAAAACAAgBAAAACAAAgAAQAiAAAAKgIICKAEBCAIAAggAAIihcAgMAOAgAEEAAggAEEAAggAEEAAgAAAAAAAA==
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