1.02010-04-08 22:12:33 UTC2015-07-20 23:31:19 UTCFDB0166272,4-Dibromo-1-(4-bromophenoxy)benzeneClassified as a Food Contaminant (code WG) in the DFC2,4-Dibromo-1-(4-bromophenoxy)benzene, 9CI2,4,4'-TriBDEBDE 28PBDE 28C12H7Br3O406.895403.8047027872,4-dibromo-1-(4-bromophenoxy)benzene2,4,4'-tribromodiphenyl ether41318-75-6BrC1=CC=C(OC2=CC=C(Br)C=C2Br)C=C1InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7HUPNBETHEXPIWQX-UHFFFAOYSA-Nlogp5.84logs-6.06solubility3.54e-04 g/lmelting_pointMp 64-64.5°logp5.78pka_strongest_basic-8.9iupac2,4-dibromo-1-(4-bromophenoxy)benzeneaverage_mass406.895mono_mass403.804702787smilesBrC1=CC=C(OC2=CC=C(Br)C=C2Br)C=C1formulaC12H7Br3OinchiInChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7HinchikeyUPNBETHEXPIWQX-UHFFFAOYSA-Npolar_surface_area9.23refractivity75.17polarizability28.71rotatable_bond_count2acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs25219Specdb::CMs154671Specdb::MsMs63678Specdb::MsMs63679Specdb::MsMs63680Specdb::MsMs120657Specdb::MsMs120658Specdb::MsMs120659Specdb::MsMs2704025Specdb::MsMs2704026Specdb::MsMs2704027Specdb::MsMs3001840Specdb::MsMs3001841Specdb::MsMs3001842HMDB37545#<Reference:0x00005556761ad570>