CHEBI:82436 - decabromodiphenyl ether

ChEBI IDCHEBI:82436
ChEBI Namedecabromodiphenyl ether
Stars
DefinitionA polybromodiphenyl ether that is diphenyl ether in which all of the hydrogens have been replaced by bromines.
Last Modified1 August 2017
DownloadsMolfile
FormulaC12Br10O
Net Charge0
Average Mass959.171
Monoisotopic Mass949.17829
SMILESBrc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br
InChIInChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
InChIKeyWHHGLZMJPXIBIX-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.
Biological Role:
neurotoxin  A poison that interferes with the functions of the nervous system.
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)
decabromodiphenyl ether (CHEBI:82436) has role neurotoxin (CHEBI:50910)
decabromodiphenyl ether (CHEBI:82436) is a polybromodiphenyl ether (CHEBI:134094)
IUPAC Name 
bis(pentabromophenyl) ether
Synonyms  Source
1,2,3,4,5-pentabromo-6-(pentabromophenoxy)benzeneIUPAC
decabromodiphenyl oxideKEGG COMPOUND
2,2',3,3',4,4',5,5',6,6'-decabromobiphenyl etherChemIDplus
BDE-209ChemIDplus
BDE209ChEBI
2,2',3,3',4,4',5,5',6,6'-decabrominated diphenyl etherChemIDplus
Manual XrefsDatabases
C19383KEGG COMPOUND
Registry NumbersSources
Reaxys:2188438Reaxys
CAS:1163-19-5KEGG COMPOUND
CAS:1163-19-5ChemIDplus
CAS:1163-19-5NIST Chemistry WebBook
Citations