CHEBI:81582 - 2,4-dibromophenyl 2,4,5-tribromophenyl ether

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ChEBI Name 2,4-dibromophenyl 2,4,5-tribromophenyl ether
ChEBI ID CHEBI:81582
Definition A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H5Br5O
Net Charge 0
Average Mass 564.686
Monoisotopic Mass 559.626
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
SMILES O(C=1C=C(C(=CC1Br)Br)Br)C=2C=CC(=CC2Br)Br
Roles Classification
Chemical Role(s): 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.
(via polybromodiphenyl ether )
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via polybromodiphenyl ether )
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.
(via polybromodiphenyl ether )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene ChemIDplus
2,2',4,4',5-pentabromodiphenyl ether ChemIDplus
BDE 99 KEGG COMPOUND
BDE-99 ChemIDplus
PBDE 99 KEGG COMPOUND
PBDE-99 ChEBI
Manual Xrefs Databases
C18203 KEGG COMPOUND
HMDB0037516
Note: (2017-08-01) Link is to the HMDB entry for pentabromodiphenyl ethers.
HMDB
View more database links
Registry Numbers Types Sources
60348-60-9 CAS Registry Number NIST Chemistry WebBook
60348-60-9 CAS Registry Number ChemIDplus
7538447 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
01 August 2017