1.0 2010-04-08 22:12:32 UTC 2015-07-20 23:31:09 UTC FDB016601 Tetrabromodiphenyl ethers Persistent environmental pollutants, detected in fish and human breast milk. Present in land-applied sewage sludge Benzene, 1,1'-oxybis-, tetrabromo deriv Benzene, 1,1'-oxybis-, tetrabromo deriv. Diphenyl ether, tetrabromo derivative Tetrabromobiphenyl ether Tetrabromodiphenyl ether Tetrabromodiphenyl oxide Toluene, dibromo derivative C12H6Br4O 485.791 481.715215402 1,2,3-tribromo-4-(4-bromophenoxy)benzene 1,2,3-tribromo-4-(4-bromophenoxy)benzene BrC1=CC=C(OC2=C(Br)C(Br)=C(Br)C=C2)C=C1 InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H ARERIMFZYPFJAV-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 6.38 ALOGPS logs -6.45 ALOGPS solubility 1.72e-04 g/l ALOGPS logp 6.55 ChemAxon pka_strongest_basic -8.9 ChemAxon iupac 1,2,3-tribromo-4-(4-bromophenoxy)benzene ChemAxon average_mass 485.791 ChemAxon mono_mass 481.715215402 ChemAxon smiles BrC1=CC=C(OC2=C(Br)C(Br)=C(Br)C=C2)C=C1 ChemAxon formula C12H6Br4O ChemAxon inchi InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H ChemAxon inchikey ARERIMFZYPFJAV-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 82.79 ChemAxon polarizability 31.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10678 Specdb::CMs 136146 Specdb::CMs 143880 Specdb::MsMs 289525 Specdb::MsMs 289526 Specdb::MsMs 289527 Specdb::MsMs 328960 Specdb::MsMs 328961 Specdb::MsMs 328962 Specdb::MsMs 2689322 Specdb::MsMs 2689323 Specdb::MsMs 2689324 Specdb::MsMs 2988893 Specdb::MsMs 2988894 Specdb::MsMs 2988895 HMDB37520 #<Reference:0x000055ce31f45e98>