1.0 2010-04-08 22:12:32 UTC 2015-07-20 23:31:15 UTC FDB016613 1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene Classified as a Food Contaminant (code WG) in the DFC 1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene, 9CI BDE 99 PBDE 99 C12H5Br5O 564.688 559.625728017 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene pentabromodiphenyl ether 60348-60-9 BrC1=CC(Br)=C(OC2=C(Br)C=C(Br)C(Br)=C2)C=C1 InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H WHPVYXDFIXRKLN-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 Liquid logp 6.69 ALOGPS logs -6.75 ALOGPS solubility 1.00e-04 g/l ALOGPS melting_point Mp 92.3° logp 7.32 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene ChemAxon average_mass 564.688 ChemAxon mono_mass 559.625728017 ChemAxon smiles BrC1=CC(Br)=C(OC2=C(Br)C=C(Br)C(Br)=C2)C=C1 ChemAxon formula C12H5Br5O ChemAxon inchi InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H ChemAxon inchikey WHPVYXDFIXRKLN-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 90.41 ChemAxon polarizability 35.27 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9828 Specdb::MsMs 65301 Specdb::MsMs 65302 Specdb::MsMs 65303 Specdb::MsMs 122679 Specdb::MsMs 122680 Specdb::MsMs 122681 Specdb::MsMs 2440354 Specdb::MsMs 2440355 Specdb::MsMs 2440356 Specdb::MsMs 2525427 Specdb::MsMs 2525428 Specdb::MsMs 2525429 HMDB37516 #<Reference:0x000055ce32f7aea8>