1.0 2010-04-08 22:12:32 UTC 2015-07-20 23:31:15 UTC FDB016614 1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene Classified as a Food Contaminant (code WG) in the DFC 1,3,5-Tribromo-2-(2,4-dibromophenoxy)-benzene 1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene 2,2',4,4',6-PentaBDE BDE 100 Benzene, 1,3,5-tribromo-2-(2,4-dibromophenoxy)- PBDE 100 C12H5Br5O 564.688 559.625728017 1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene 1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene 189084-64-8 BrC1=CC=C(OC2=C(Br)C=C(Br)C=C2Br)C(Br)=C1 InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H NSKIRYMHNFTRLR-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 6.69 ALOGPS logs -6.74 ALOGPS solubility 1.03e-04 g/l ALOGPS melting_point Mp 97-98° logp 7.32 ChemAxon pka_strongest_basic -9.3 ChemAxon iupac 1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene ChemAxon average_mass 564.688 ChemAxon mono_mass 559.625728017 ChemAxon smiles BrC1=CC=C(OC2=C(Br)C=C(Br)C=C2Br)C(Br)=C1 ChemAxon formula C12H5Br5O ChemAxon inchi InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H ChemAxon inchikey NSKIRYMHNFTRLR-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 90.41 ChemAxon polarizability 35.32 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21156 Specdb::MsMs 88719 Specdb::MsMs 88720 Specdb::MsMs 88721 Specdb::MsMs 151506 Specdb::MsMs 151507 Specdb::MsMs 151508 Specdb::MsMs 2345708 Specdb::MsMs 2345709 Specdb::MsMs 2345710 Specdb::MsMs 2590483 Specdb::MsMs 2590484 Specdb::MsMs 2590485 HMDB37532 #<Reference:0x000055ce305d59e0>