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Details

Stereochemistry ACHIRAL
Molecular Formula C12H4Br6O
Molecular Weight 643.584
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,4,4',5,6-HEXABROMODIPHENYL ETHER

SMILES

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

InChI

InChIKey=KVYODBMKQYVNEK-UHFFFAOYSA-N
InChI=1S/C12H4Br6O/c13-5-1-3-6(4-2-5)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H

HIDE SMILES / InChI

Molecular Formula C12H4Br6O
Molecular Weight 643.584
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Molecular orbital studies on brominated diphenyl ethers. Part I--conformational properties.
2005-05
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:55:26 GMT 2025
Edited
by admin
on Mon Mar 31 20:55:26 GMT 2025
Record UNII
0612NYE44G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,4,4',5,6-HEXABROMODIPHENYL ETHER
Common Name English
PBDE 166
Preferred Name English
BENZENE, 1,2,3,4,5-PENTABROMO-6-(4-BROMOPHENOXY)-
Systematic Name English
Code System Code Type Description
PUBCHEM
21604829
Created by admin on Mon Mar 31 20:55:26 GMT 2025 , Edited by admin on Mon Mar 31 20:55:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID50879965
Created by admin on Mon Mar 31 20:55:26 GMT 2025 , Edited by admin on Mon Mar 31 20:55:26 GMT 2025
PRIMARY
FDA UNII
0612NYE44G
Created by admin on Mon Mar 31 20:55:26 GMT 2025 , Edited by admin on Mon Mar 31 20:55:26 GMT 2025
PRIMARY
CAS
189084-58-0
Created by admin on Mon Mar 31 20:55:26 GMT 2025 , Edited by admin on Mon Mar 31 20:55:26 GMT 2025
PRIMARY