1.02010-04-08 22:12:32 UTC2015-07-20 23:31:15 UTCFDB0166131,2,4-Tribromo-5-(2,4-dibromophenoxy)benzeneClassified as a Food Contaminant (code WG) in the DFC1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene, 9CIBDE 99PBDE 99C12H5Br5O564.688559.6257280171,2,4-tribromo-5-(2,4-dibromophenoxy)benzenepentabromodiphenyl ether60348-60-9BrC1=CC(Br)=C(OC2=C(Br)C=C(Br)C(Br)=C2)C=C1InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5HWHPVYXDFIXRKLN-UHFFFAOYSA-N belongs to the class of organic compounds known as bromodiphenyl ethers. Bromodiphenyl ethers are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.Bromodiphenyl ethersOrganic compoundsBenzenoidsBenzene and substituted derivativesDiphenylethersAromatic homomonocyclic compoundsAryl bromidesBromobenzenesDiarylethersHydrocarbon derivativesOrganobromidesPhenol ethersPhenoxy compoundsAromatic homomonocyclic compoundAryl bromideAryl halideBromobenzeneBromodiphenyl etherDiaryl etherEtherHalobenzeneHydrocarbon derivativeOrganic oxygen compoundOrganobromideOrganohalogen compoundOrganooxygen compoundPhenol etherPhenoxy compoundPBDEsaromatic etherorganobromine compoundLiquidlogp6.69logs-6.75solubility1.00e-04 g/lmelting_pointMp 92.3°logp7.32pka_strongest_basic-3.8iupac1,2,4-tribromo-5-(2,4-dibromophenoxy)benzeneaverage_mass564.688mono_mass559.625728017smilesBrC1=CC(Br)=C(OC2=C(Br)C=C(Br)C(Br)=C2)C=C1formulaC12H5Br5OinchiInChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5HinchikeyWHPVYXDFIXRKLN-UHFFFAOYSA-Npolar_surface_area9.23refractivity90.41polarizability35.27rotatable_bond_count2acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs9828Specdb::MsMs65301Specdb::MsMs65302Specdb::MsMs65303Specdb::MsMs122679Specdb::MsMs122680Specdb::MsMs122681Specdb::MsMs2440354Specdb::MsMs2440355Specdb::MsMs2440356Specdb::MsMs2525427Specdb::MsMs2525428Specdb::MsMs2525429HMDB37516#<Reference:0x0000555673ff3ad8>