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',3,6,6'-PENTABROMODIPHENYL ETHER

SMILES

BrC1=CC=CC(Br)=C1OC2=C(Br)C=CC(Br)=C2Br

InChI

InChIKey=ZFCJNRDWGBZUED-UHFFFAOYSA-N
InChI=1S/C12H5Br5O/c13-6-4-5-9(16)12(10(6)17)18-11-7(14)2-1-3-8(11)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 10:49:51 GMT 2023
Edited
by admin
on Sat Dec 16 10:49:51 GMT 2023
Record UNII
3747NC72IB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2',3,6,6'-PENTABROMODIPHENYL ETHER
Common Name English
BENZENE, 1,2,4-TRIBROMO-3-(2,6-DIBROMOPHENOXY)-
Systematic Name English
PBDE 96
Common Name English
Code System Code Type Description
FDA UNII
3747NC72IB
Created by admin on Sat Dec 16 10:49:51 GMT 2023 , Edited by admin on Sat Dec 16 10:49:51 GMT 2023
PRIMARY
CAS
446254-63-3
Created by admin on Sat Dec 16 10:49:51 GMT 2023 , Edited by admin on Sat Dec 16 10:49:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID60879911
Created by admin on Sat Dec 16 10:49:51 GMT 2023 , Edited by admin on Sat Dec 16 10:49:51 GMT 2023
PRIMARY
PUBCHEM
86208532
Created by admin on Sat Dec 16 10:49:51 GMT 2023 , Edited by admin on Sat Dec 16 10:49:51 GMT 2023
PRIMARY