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CHEBI:81582 - 2,4-dibromophenyl 2,4,5-tribromophenyl ether
| Formula | C12H5Br5O |
| Net Charge | 0 |
| Average Mass | 564.691 |
| Monoisotopic Mass | 559.62573 |
| SMILES | Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1 |
| 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 |
| InChIKey | WHPVYXDFIXRKLN-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | persistent organic pollutant Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. persistent organic pollutant Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. persistent organic pollutant Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. |
| Applications: | endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system flame retardant Any compound that is added to manufactured materials to inhibit, suppress, or delay the production of flames and so prevent the spread of fire. flame retardant Any compound that is added to manufactured materials to inhibit, suppress, or delay the production of flames and so prevent the spread of fire. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,4-dibromophenyl 2,4,5-tribromophenyl ether (CHEBI:81582) is a polybromodiphenyl ether (CHEBI:134094) |
| IUPAC Name |
|---|
| 2,4-dibromophenyl 2,4,5-tribromophenyl ether |
| Synonyms | Source |
|---|---|
| PBDE 99 | KEGG COMPOUND |
| BDE 99 | KEGG COMPOUND |
| 2,2',4,4',5-pentabromodiphenyl ether | ChemIDplus |
| PBDE-99 | ChEBI |
| 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene | ChemIDplus |
| BDE-99 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C18203 | KEGG COMPOUND |
| HMDB0037516 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7538447 | Reaxys |
| CAS:60348-60-9 | KEGG COMPOUND |
| CAS:60348-60-9 | ChemIDplus |
| CAS:60348-60-9 | NIST Chemistry WebBook |
| Citations |
|---|