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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',3,4,4'-PENTABROMODIPHENYL ETHER

SMILES

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

InChI

InChIKey=DMLQSUZPTTUUDP-UHFFFAOYSA-N
InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)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
Tissue localisation of tetra- and pentabromodiphenyl ether congeners (BDE-47, -85 and -99) in perinatal and adult C57BL mice.
2006 Jan
Improved quality control in gas chromatography interfaced to stable isotope ratio mass spectrometry by application of derivative chromatography.
2007 May 2
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:40:04 GMT 2023
Edited
by admin
on Sat Dec 16 09:40:04 GMT 2023
Record UNII
FGO8T80EZ5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2',3,4,4'-PENTABROMODIPHENYL ETHER
Common Name English
BENZENE, 1,2,3-TRIBROMO-4-(2,4-DIBROMOPHENOXY)-
Systematic Name English
PBDE 85
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID4052685
Created by admin on Sat Dec 16 09:40:04 GMT 2023 , Edited by admin on Sat Dec 16 09:40:04 GMT 2023
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CHEBI
138064
Created by admin on Sat Dec 16 09:40:04 GMT 2023 , Edited by admin on Sat Dec 16 09:40:04 GMT 2023
PRIMARY
CAS
182346-21-0
Created by admin on Sat Dec 16 09:40:04 GMT 2023 , Edited by admin on Sat Dec 16 09:40:04 GMT 2023
PRIMARY
FDA UNII
FGO8T80EZ5
Created by admin on Sat Dec 16 09:40:04 GMT 2023 , Edited by admin on Sat Dec 16 09:40:04 GMT 2023
PRIMARY
PUBCHEM
177368
Created by admin on Sat Dec 16 09:40:04 GMT 2023 , Edited by admin on Sat Dec 16 09:40:04 GMT 2023
PRIMARY