1.0 2010-04-08 22:12:32 UTC 2015-07-20 23:31:12 UTC FDB016606 2,2',4,4',5,5'-Hexabromodiphenyl ether Classified as a Food Contaminant (code WG) in the DFC 1,1'-Oxybis(2,4,5-tribromo-benzene 1,1'-oxybis(2,4,5-tribromobenzene) 1,1'-Oxybis[2,4,5-tribromo]benzene, 9CI 2,2',4,4',5,5'-Hexabromodiphenyl ether BDE 153 Benzene, 1,1'-oxybis(2,4,5-tribromo- PBDE 153 C12H4Br6O 643.584 637.536240632 1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene 1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene 68631-49-2 BrC1=CC(Br)=C(Br)C=C1OC1=CC(Br)=C(Br)C=C1Br InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H RZXIRSKYBISPGF-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 aromatic ether organobromine compound logp 6.96 ALOGPS logs -6.94 ALOGPS solubility 7.39e-05 g/l ALOGPS melting_point Mp 157.6° logp 8.09 ChemAxon pka_strongest_basic -9.1 ChemAxon iupac 1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene ChemAxon average_mass 643.584 ChemAxon mono_mass 637.536240632 ChemAxon smiles BrC1=CC(Br)=C(Br)C=C1OC1=CC(Br)=C(Br)C=C1Br ChemAxon formula C12H4Br6O ChemAxon inchi InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H ChemAxon inchikey RZXIRSKYBISPGF-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 13931 Specdb::MsMs 46725 Specdb::MsMs 46726 Specdb::MsMs 46727 Specdb::MsMs 153507 Specdb::MsMs 153508 Specdb::MsMs 153509 Specdb::MsMs 2755276 Specdb::MsMs 2755277 Specdb::MsMs 2755278 Specdb::MsMs 2954115 Specdb::MsMs 2954116 Specdb::MsMs 2954117 HMDB37525 #<Reference:0x000055ce328b08e8>