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  • 1,2-Bis(2,3,4,5,6-pentabromophenyl)ethane

  • 1,2-Bis(2,3,4,5,6-pentabromophenyl)ethane

    Catalog Number
    ACM84852539
    CAS Number
    84852-53-9
    Product Name
    1,2-Bis(2,3,4,5,6-pentabromophenyl)ethane
    Category
    Plastic Additives
    Description
    DryPowder; OtherSolid; PelletsLargeCrystals
    IUPAC Name
    1,2,3,4,5-pentabromo-6-[2-(2,3,4,5,6-pentabromophenyl)ethyl]benzene
    Molecular Weight
    971.2g/mol
    Molecular Formula
    C14H4Br10
    Canonical SMILES
    C(CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br
    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
    InChI Key
    BZQKBFHEWDPQHD-UHFFFAOYSA-N
    Melting Point
    >345 °C
    Solubility
    In water, 1.61X10-12 mg/L at 25 °C (est);Insoluble in water
    Application
    1,2-Bis(2,3,4,5,6-pentabromophenyl)ethane serves as a brominated flame retardant, designed to enhance fire safety in various materials. This compound is incorporated into polymers, such as high impact polystyrene, by compounding or blending it into the resin before the material is shaped into finished products through processes like injection molding. In textile applications, it is combined with different latices and applied as a back coating to improve fire resistance. This high molecular weight powder is characterized by its low water solubility, low lipophilicity, and small particle size, making it effective in reducing the spread of fire across thermoplastics, thermosets, textiles, and coatings.
    Color/Form
    White powder
    Complexity
    352
    Covalently-Bonded Unit Count
    1
    EC Number
    284-366-9
    Exact Mass
    971.20443g/mol
    Formal Charge
    0
    Heavy Atom Count
    24
    Log P
    log Kow = 13.64 (est)
    MeSH Entry Terms
    1,2-bis(pentabromophenyl)ethane;ethane, 1,2-bis(pentabromophenyl);Saytex 8010
    Monoisotopic Mass
    961.2147g/mol
    Odor
    Odorless
    Other Experimental
    Henry's Law constant = 2.94X10-8 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.39X10-12 cu cm/molec-sec at 25 °C (est)
    Rotatable Bond Count
    3
    Vapor Pressure
    1.93X10-13 mm Hg at 25 °C (est)
    XLogP3
    11.1
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