CHEBI:138064 - 2,4-dibromophenyl 2,3,4-tribromophenyl ether

ChEBI IDCHEBI:138064
ChEBI Name2,4-dibromophenyl 2,3,4-tribromophenyl ether
Stars
DefinitionA polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 3, 4, 2', and 4' positions have been replaced by bromines.
Last Modified1 August 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H5Br5O
Net Charge0
Average Mass564.691
Monoisotopic Mass559.62573
SMILESBrc1ccc(Oc2ccc(Br)c(Br)c2Br)c(Br)c1
InChIInChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H
InChIKeyDMLQSUZPTTUUDP-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 2,3,4-tribromophenyl ether (CHEBI:138064) is a polybromodiphenyl ether (CHEBI:134094)
IUPAC Name 
2,4-dibromophenyl 2,3,4-tribromophenyl ether
Synonyms  Source
1,2,3-tribromo-4-(2,4-dibromophenoxy)benzeneChEBI
2,2',3,4,4'-pentabromodiphenyl etherChemIDplus
BDE-85ChEBI
PBDE-85ChEBI
BDE 85ChemIDplus
PBDE 85ChemIDplus
Manual XrefsDatabases
HMDB0037516HMDB
Registry NumbersSources
Reaxys:7538430Reaxys
CAS:182346-21-0ChemIDplus
Citations