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 3,3',4,4',5-PENTABROMODIPHENYL ETHER

SMILES

BrC1=CC=C(OC2=CC(Br)=C(Br)C(Br)=C2)C=C1Br

InChI

InChIKey=SJNIIWPIAVQNRK-UHFFFAOYSA-N
InChI=1S/C12H5Br5O/c13-8-2-1-6(3-9(8)14)18-7-4-10(15)12(17)11(16)5-7/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
In vitro assessment of potential mechanism-specific effects of polybrominated diphenyl ethers.
2002 Nov
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:14:16 GMT 2023
Edited
by admin
on Sat Dec 16 00:14:16 GMT 2023
Record UNII
TE8L2L37ZW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3',4,4',5-PENTABROMODIPHENYL ETHER
Common Name English
BENZENE, 1,2,3-TRIBROMO-5-(3,4-DIBROMOPHENOXY)-
Systematic Name English
PBDE 126
Common Name English
Code System Code Type Description
PUBCHEM
15509896
Created by admin on Sat Dec 16 00:14:16 GMT 2023 , Edited by admin on Sat Dec 16 00:14:16 GMT 2023
PRIMARY
FDA UNII
TE8L2L37ZW
Created by admin on Sat Dec 16 00:14:16 GMT 2023 , Edited by admin on Sat Dec 16 00:14:16 GMT 2023
PRIMARY
CAS
366791-32-4
Created by admin on Sat Dec 16 00:14:16 GMT 2023 , Edited by admin on Sat Dec 16 00:14:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID50573491
Created by admin on Sat Dec 16 00:14:16 GMT 2023 , Edited by admin on Sat Dec 16 00:14:16 GMT 2023
PRIMARY