2,2',4,4',6-PENTABROMODIPHENYL ETHER

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

Structure Search

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

Title	Date	PubMed
Primary role of cytochrome P450 2B6 in the oxidative metabolism of 2,2',4,4',6-pentabromodiphenyl ether (BDE-100) to hydroxylated BDEs.	2015-04-20	25629761
Environmental contaminants activate human and polar bear (Ursus maritimus) pregnane X receptors (PXR, NR1I2) differently.	2015-04-01	25680588
Similarities in the endocrine-disrupting potencies of indoor dust and flame retardants by using human osteosarcoma (U2OS) cell-based reporter gene assays.	2013-03-19	23398518
Congener-specific action of PBDEs on steroid secretion, CYP17, 17β-HSD and CYP19 activity and protein expression in porcine ovarian follicles.	2011-10-30	21871953
Some flame retardants and the antimicrobials triclosan and triclocarban enhance the androgenic activity in vitro.	2010-11	20943248
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.	2010-09	20488240
Nuclear hormone receptor activity of polybrominated diphenyl ethers and their hydroxylated and methoxylated metabolites in transactivation assays using Chinese hamster ovary cells.	2009-08	19672399
Screening of 397 chemicals and development of a quantitative structure--activity relationship model for androgen receptor antagonism.	2008-04	18324785
Bioaccumulation and biotransformation of 61 polychlorinated biphenyl and four polybrominated diphenyl ether congeners in juvenile American kestrels (Falco sparverius).	2007-02	17713220
Interactions of polybrominated diphenyl ethers with the aryl hydrocarbon receptor pathway.	2006-07	16601081
In vitro profiling of the endocrine-disrupting potency of brominated flame retardants.	2006-07	16601080
Tissue disposition, excretion and metabolism of 2,2',4,4',6-pentabromodiphenyl ether (BDE-100) in male Sprague-Dawley rats.	2006-01	16507514
In vivo and in vitro anti-androgenic effects of DE-71, a commercial polybrominated diphenyl ether (PBDE) mixture.	2005-08-22	16005038
Optimization of solid-phase microextraction for the gas chromatography/mass spectrometry analysis of persistent organic pollutants.	2004-08-07	15295899
Polybrominated dibenzo-p-dioxins, dibenzofurans, and diphenyl ethers in Japanese human adipose tissue.	2003-03-01	12666907
Brominated flame retardants in archived serum samples from Norway: a study on temporal trends and the role of age.	2002-04-01	11999045
Brominated flame retardants in plasma samples from three different occupational groups in Norway.	2001-08	11523435

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:32:26 GMT 2025` Edited by `admin` on `Mon Mar 31 20:32:26 GMT 2025`
Record UNII	YW2W2K0A6U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2',4,4',6-PENTABROMODIPHENYL ETHER

Common Name

English

PBDE 100

Preferred Name

English

BENZENE, 1,3,5-TRIBROMO-2-(2,4-DIBROMOPHENOXY)-

Systematic Name

English

Code System Code Type Description

CHEBI

138065