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

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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A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines.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	ChemicalBook:CB4759009, eMolecules:495221

Download	Molfile XML SDF

Formula

C12H5Br5O

Net Charge

Average Mass

564.686

Monoisotopic Mass

559.62573

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 ) (via brominated flame retardant )

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 brominated flame retardant )

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

Last Modified

01 August 2017