1.0 2010-04-08 22:12:31 UTC 2015-07-20 23:31:08 UTC FDB016594 Hexabromodiphenyl ethers Persistent environmental pollutant, detected in human breast milk and fish Benzene, 1,1'-oxybis-, hexabromo deriv Benzene, 1,1'-oxybis-, hexabromo deriv. Diphenyl ether, hexabromo derivative Hexabromodiphenyl ether Hexabromodiphenyl oxide Hexabromophenoxybenzene C12H4Br6O 643.584 637.536240632 1,3,5-tribromo-2-(2,3,5-tribromophenoxy)benzene 1,3,5-tribromo-2-(2,3,5-tribromophenoxy)benzene BrC1=CC(Br)=C(OC2=CC(Br)=CC(Br)=C2Br)C(Br)=C1 InChI=1S/C12H4Br6O/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4H OJMHGSMSQZEBFH-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 ethers Organic compounds Benzenoids Benzene and substituted derivatives Diphenylethers Aromatic homomonocyclic compounds Aryl bromides Bromobenzenes Diarylethers Hydrocarbon derivatives Organobromides Phenol ethers Phenoxy compounds Aromatic homomonocyclic compound Aryl bromide Aryl halide Bromobenzene Bromodiphenyl ether Diaryl ether Ether Halobenzene Hydrocarbon derivative Organic oxygen compound Organobromide Organohalogen compound Organooxygen compound Phenol ether Phenoxy compound logp 6.96 ALOGPS logs -6.94 ALOGPS solubility 7.44e-05 g/l ALOGPS melting_point 148-151 oC logp 8.09 ChemAxon pka_strongest_basic -9.3 ChemAxon iupac 1,3,5-tribromo-2-(2,3,5-tribromophenoxy)benzene ChemAxon average_mass 643.584 ChemAxon mono_mass 637.536240632 ChemAxon smiles BrC1=CC(Br)=C(OC2=CC(Br)=CC(Br)=C2Br)C(Br)=C1 ChemAxon formula C12H4Br6O ChemAxon inchi InChI=1S/C12H4Br6O/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4H ChemAxon inchikey OJMHGSMSQZEBFH-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 98.04 ChemAxon polarizability 38.56 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12249 Specdb::MsMs 69849 Specdb::MsMs 69850 Specdb::MsMs 69851 Specdb::MsMs 128214 Specdb::MsMs 128215 Specdb::MsMs 128216 Specdb::MsMs 2747056 Specdb::MsMs 2747057 Specdb::MsMs 2747058 Specdb::MsMs 2931057 Specdb::MsMs 2931058 Specdb::MsMs 2931059 HMDB37515 #<Reference:0x000055ce32623aa8>