1.02010-04-08 22:12:31 UTC2015-07-20 23:31:08 UTCFDB016594Hexabromodiphenyl ethersPersistent environmental pollutant, detected in human breast milk and fishBenzene, 1,1'-oxybis-, hexabromo derivBenzene, 1,1'-oxybis-, hexabromo deriv.Diphenyl ether, hexabromo derivativeHexabromodiphenyl etherHexabromodiphenyl oxideHexabromophenoxybenzeneC12H4Br6O643.584637.5362406321,3,5-tribromo-2-(2,3,5-tribromophenoxy)benzene1,3,5-tribromo-2-(2,3,5-tribromophenoxy)benzeneBrC1=CC(Br)=C(OC2=CC(Br)=CC(Br)=C2Br)C(Br)=C1InChI=1S/C12H4Br6O/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4HOJMHGSMSQZEBFH-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 compoundlogp6.96logs-6.94solubility7.44e-05 g/lmelting_point148-151 oClogp8.09pka_strongest_basic-9.3iupac1,3,5-tribromo-2-(2,3,5-tribromophenoxy)benzeneaverage_mass643.584mono_mass637.536240632smilesBrC1=CC(Br)=C(OC2=CC(Br)=CC(Br)=C2Br)C(Br)=C1formulaC12H4Br6OinchiInChI=1S/C12H4Br6O/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4HinchikeyOJMHGSMSQZEBFH-UHFFFAOYSA-Npolar_surface_area9.23refractivity98.04polarizability38.56rotatable_bond_count2acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs12249Specdb::MsMs69849Specdb::MsMs69850Specdb::MsMs69851Specdb::MsMs128214Specdb::MsMs128215Specdb::MsMs128216Specdb::MsMs2747056Specdb::MsMs2747057Specdb::MsMs2747058Specdb::MsMs2931057Specdb::MsMs2931058Specdb::MsMs2931059HMDB37515#<Reference:0x0000555676365890>