1.0 2010-04-08 22:12:33 UTC 2015-07-20 23:31:20 UTC FDB016629 1,1'-Oxybis[2,4-dibromobenzene] Classified as a Food Contaminant (code WG) in the DFC 1,1'-Oxybis(2,4-dibromo-benzene 1,1'-oxybis(2,4-dibromobenzene) 1,1'-Oxybis[2,4-dibromobenzene], 9CI 2,2',4,4'-TetraBDE 2,2',4,4'-Tetrabromodiphenyl ether 2,2'4,4'-Tetrabromodiphenyl ether BDE 47 Benzene, 1,1'-oxybis(2,4-dibromo- Dibromophenyl ether PBDE 47 PBDE-47 C12H6Br4O 485.791 481.715215402 2,4-dibromo-1-(2,4-dibromophenoxy)benzene 2,4-dibromo-1-(2,4-dibromophenoxy)benzene 5436-43-1 BrC1=CC=C(OC2=CC=C(Br)C=C2Br)C(Br)=C1 InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H XYBSIYMGXVUVGY-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 PBDEs aromatic ether organobromine compound logp 6.37 ALOGPS logs -6.46 ALOGPS solubility 1.70e-04 g/l ALOGPS melting_point Mp 82-82.5° (78.5-79°) logp 6.55 ChemAxon pka_strongest_basic -9.1 ChemAxon iupac 2,4-dibromo-1-(2,4-dibromophenoxy)benzene ChemAxon average_mass 485.791 ChemAxon mono_mass 481.715215402 ChemAxon smiles BrC1=CC=C(OC2=CC=C(Br)C=C2Br)C(Br)=C1 ChemAxon formula C12H6Br4O ChemAxon inchi InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H ChemAxon inchikey XYBSIYMGXVUVGY-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 82.79 ChemAxon polarizability 32.04 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19034 Specdb::CMs 133753 Specdb::CMs 141487 Specdb::MsMs 57090 Specdb::MsMs 57091 Specdb::MsMs 57092 Specdb::MsMs 112668 Specdb::MsMs 112669 Specdb::MsMs 112670 Specdb::MsMs 2762389 Specdb::MsMs 2762390 Specdb::MsMs 2762391 Specdb::MsMs 2946183 Specdb::MsMs 2946184 Specdb::MsMs 2946185 HMDB37547 #<Reference:0x000055ce31ec3380> #<Reference:0x000055ce31ec31c8> #<Reference:0x000055ce31ec3010> #<Reference:0x000055ce31ec2e58> #<Reference:0x000055ce31ec2ca0> #<Reference:0x000055ce31ec2ae8>