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Details

Stereochemistry ACHIRAL
Molecular Formula C12H2Br8O
Molecular Weight 801.376
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2',3,3',4,4',6,6'-OCTABROMODIPHENYL ETHER

SMILES

BrC1=CC(Br)=C(OC2=C(Br)C=C(Br)C(Br)=C2Br)C(Br)=C1Br

InChI

InChIKey=AAFUUKPTSPVXJH-UHFFFAOYSA-N
InChI=1S/C12H2Br8O/c13-3-1-5(15)11(9(19)7(3)17)21-12-6(16)2-4(14)8(18)10(12)20/h1-2H

HIDE SMILES / InChI

Molecular Formula C12H2Br8O
Molecular Weight 801.376
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
HPLC isolation and NMR structure elucidation of the most prominent octabromo isomer in technical octabromo diphenyl ether.
2005 Nov
Octabromodiphenyl ether - porphyrogenicity after repeated administration to rats.
2012 Sep
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:42 GMT 2023
Edited
by admin
on Sat Dec 16 09:27:42 GMT 2023
Record UNII
1SD9VS79J1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2',3,3',4,4',6,6'-OCTABROMODIPHENYL ETHER
Common Name English
BENZENE, 1,1'-OXYBIS(2,3,4,6-TETRABROMO-
Systematic Name English
PBDE 197
Common Name English
Code System Code Type Description
CAS
117964-21-3
Created by admin on Sat Dec 16 09:27:42 GMT 2023 , Edited by admin on Sat Dec 16 09:27:42 GMT 2023
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EPA CompTox
DTXSID9074775
Created by admin on Sat Dec 16 09:27:42 GMT 2023 , Edited by admin on Sat Dec 16 09:27:42 GMT 2023
PRIMARY
PUBCHEM
11967214
Created by admin on Sat Dec 16 09:27:42 GMT 2023 , Edited by admin on Sat Dec 16 09:27:42 GMT 2023
PRIMARY
FDA UNII
1SD9VS79J1
Created by admin on Sat Dec 16 09:27:42 GMT 2023 , Edited by admin on Sat Dec 16 09:27:42 GMT 2023
PRIMARY