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CHEBI:81584 - 2,2',4,4'-Tetrabromodiphenyl ether

ChEBI IDCHEBI:81584
ChEBI Name2,2',4,4'-Tetrabromodiphenyl ether
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC12H6Br4O
Net Charge0
Average Mass485.795
Monoisotopic Mass481.71521
SMILESBrc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
InChIKeyXYBSIYMGXVUVGY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) Article (Report on Human Biomonitoring of Environmental Chemicals in Canada (2010). ISBN 978-1-100-15618-7. Cat no. H128-1/10-601E)
ChEBI Ontology
Outgoing Relation(s)
2,2',4,4'-Tetrabromodiphenyl ether (CHEBI:81584) is a aromatic ether (CHEBI:35618)
2,2',4,4'-Tetrabromodiphenyl ether (CHEBI:81584) is a organobromine compound (CHEBI:37141)
Synonyms  Source
PBDE 47KEGG COMPOUND
BDE 47KEGG COMPOUND
Dibromophenyl etherHMDB
2,4-dibromo-1-(2,4-dibromophenoxy)benzeneHMDB
2,2',4,4'-Tetrabromodiphenyl etherHMDB
PBDE-47HMDB
Manual XrefsDatabases
C18205KEGG COMPOUND
HMDB0037547HMDB
Registry NumbersSources
CAS:5436-43-1KEGG COMPOUND
Citations