U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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',4,5,5',6-OCTABROMODIPHENYL ETHER

SMILES

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

InChI

InChIKey=IBKRHVDFFHQOSC-UHFFFAOYSA-N
InChI=1S/C12H2Br8O/c13-3-1-4(14)6(15)5(2-3)21-12-10(19)8(17)7(16)9(18)11(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
Synthesis of octabrominated diphenyl ethers from aminodiphenyl ethers.
2007-11-01
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:40:58 GMT 2025
Edited
by admin
on Mon Mar 31 22:40:58 GMT 2025
Record UNII
08A1V2PI6T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PBDE 198
Preferred Name English
2,2',3,3',4,5,5',6-OCTABROMODIPHENYL ETHER
Common Name English
BENZENE, PENTABROMO(2,3,5-TRIBROMOPHENOXY)-
Systematic Name English
BENZENE, 1,2,3,4,5-PENTABROMO-6-(2,3,5-TRIBROMOPHENOXY)-
Systematic Name English
PENTABROMO(2,3,5-TRIBROMOPHENOXY)-BENZENE
Systematic Name English
Code System Code Type Description
CAS
446255-42-1
Created by admin on Mon Mar 31 22:40:58 GMT 2025 , Edited by admin on Mon Mar 31 22:40:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID30879988
Created by admin on Mon Mar 31 22:40:58 GMT 2025 , Edited by admin on Mon Mar 31 22:40:58 GMT 2025
PRIMARY
FDA UNII
08A1V2PI6T
Created by admin on Mon Mar 31 22:40:58 GMT 2025 , Edited by admin on Mon Mar 31 22:40:58 GMT 2025
PRIMARY
PUBCHEM
72941819
Created by admin on Mon Mar 31 22:40:58 GMT 2025 , Edited by admin on Mon Mar 31 22:40:58 GMT 2025
PRIMARY