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

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',3,4,6'-PENTABROMODIPHENYL ETHER

SMILES

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

InChI

InChIKey=XGFLJLJXVIMCNR-UHFFFAOYSA-N
InChI=1S/C12H5Br5O/c13-6-4-5-9(11(17)10(6)16)18-12-7(14)2-1-3-8(12)15/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

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
6212VBC8QR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2',3,4,6'-PENTABROMODIPHENYL ETHER
Common Name English
BENZENE, 1,2,3-TRIBROMO-4-(2,6-DIBROMOPHENOXY)-
Systematic Name English
PBDE 89
Common Name English
Code System Code Type Description
CAS
446254-56-4
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
EPA CompTox
DTXSID50879905
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
6212VBC8QR
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
13828346
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