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Details

Stereochemistry ACHIRAL
Molecular Formula C12H5Br5O
Molecular Weight 564.688
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2',4,4',6-PENTABROMODIPHENYL ETHER

SMILES

BrC1=CC=C(OC2=C(Br)C=C(Br)C=C2Br)C(Br)=C1

InChI

InChIKey=NSKIRYMHNFTRLR-UHFFFAOYSA-N
InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H

HIDE SMILES / InChI

Molecular Formula C12H5Br5O
Molecular Weight 564.688
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Optimization of solid-phase microextraction for the gas chromatography/mass spectrometry analysis of persistent organic pollutants.
2004 Jul-Aug
Tissue disposition, excretion and metabolism of 2,2',4,4',6-pentabromodiphenyl ether (BDE-100) in male Sprague-Dawley rats.
2006 Jan
In vitro profiling of the endocrine-disrupting potency of brominated flame retardants.
2006 Jul
Screening of 397 chemicals and development of a quantitative structure--activity relationship model for androgen receptor antagonism.
2008 Apr
Nuclear hormone receptor activity of polybrominated diphenyl ethers and their hydroxylated and methoxylated metabolites in transactivation assays using Chinese hamster ovary cells.
2009 Aug
The sensitivity of the MDA-kb2 cell in vitro assay in detecting anti-androgenic chemicals--identification of sources of variability and estimation of statistical power.
2010 Sep
Similarities in the endocrine-disrupting potencies of indoor dust and flame retardants by using human osteosarcoma (U2OS) cell-based reporter gene assays.
2013 Mar 19
Environmental contaminants activate human and polar bear (Ursus maritimus) pregnane X receptors (PXR, NR1I2) differently.
2015 Apr 1
Primary role of cytochrome P450 2B6 in the oxidative metabolism of 2,2',4,4',6-pentabromodiphenyl ether (BDE-100) to hydroxylated BDEs.
2015 Apr 20
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:10:02 GMT 2023
Edited
by admin
on Sat Dec 16 00:10:02 GMT 2023
Record UNII
YW2W2K0A6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2',4,4',6-PENTABROMODIPHENYL ETHER
Common Name English
BENZENE, 1,3,5-TRIBROMO-2-(2,4-DIBROMOPHENOXY)-
Systematic Name English
PBDE 100
Common Name English
Code System Code Type Description
CHEBI
138065
Created by admin on Sat Dec 16 00:10:02 GMT 2023 , Edited by admin on Sat Dec 16 00:10:02 GMT 2023
PRIMARY
PUBCHEM
154083
Created by admin on Sat Dec 16 00:10:02 GMT 2023 , Edited by admin on Sat Dec 16 00:10:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID4052689
Created by admin on Sat Dec 16 00:10:02 GMT 2023 , Edited by admin on Sat Dec 16 00:10:02 GMT 2023
PRIMARY
FDA UNII
YW2W2K0A6U
Created by admin on Sat Dec 16 00:10:02 GMT 2023 , Edited by admin on Sat Dec 16 00:10:02 GMT 2023
PRIMARY
CAS
189084-64-8
Created by admin on Sat Dec 16 00:10:02 GMT 2023 , Edited by admin on Sat Dec 16 00:10:02 GMT 2023
PRIMARY