1.0 2010-04-08 22:12:33 UTC 2015-07-20 23:31:19 UTC FDB016628 2,2',3,4,4',5',6-Heptabromodiphenyl ether Classified as a Food Contaminant (code WG) in the DFC 1,2,3,5-Tetrabromo-4-(2,4,5-tribromophenoxy)-benzene 1,2,3,5-Tetrabromo-4-(2,4,5-tribromophenoxy)benzene BDE 183 PBDE 183 C12H3Br7O 722.48 715.446753247 1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene 1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene 207122-16-5 BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2Br)C(Br)=C1Br InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H ILPSCQCLBHQUEM-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 7.19 ALOGPS logs -7.08 ALOGPS solubility 6.07e-05 g/l ALOGPS logp 8.85 ChemAxon pka_strongest_basic -9.3 ChemAxon iupac 1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene ChemAxon average_mass 722.48 ChemAxon mono_mass 715.446753247 ChemAxon smiles BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2Br)C(Br)=C1Br ChemAxon formula C12H3Br7O ChemAxon inchi InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H ChemAxon inchikey ILPSCQCLBHQUEM-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 105.66 ChemAxon polarizability 41.63 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 73864 Specdb::MsMs 64281 Specdb::MsMs 64282 Specdb::MsMs 64283 Specdb::MsMs 121395 Specdb::MsMs 121396 Specdb::MsMs 121397 Specdb::MsMs 2269429 Specdb::MsMs 2269430 Specdb::MsMs 2269431 Specdb::MsMs 3073488 Specdb::MsMs 3073489 Specdb::MsMs 3073490 HMDB37546 #<Reference:0x000055ce3211d590>