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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H3Br7O
Molecular Weight 722.48
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=COVXWWKOLMNRQE-UHFFFAOYSA-N
InChI=1S/C12H3Br7O/c13-4-1-2-5(14)11(8(4)17)20-12-9(18)6(15)3-7(16)10(12)19/h1-3H

HIDE SMILES / InChI

Molecular Formula C12H3Br7O
Molecular Weight 722.48
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 00:21:41 GMT 2023
Edited
by admin
on Sat Dec 16 00:21:41 GMT 2023
Record UNII
K5CNI0T47A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2',3,3',5,6,6'-HEPTABROMODIPHENYL ETHER
Common Name English
PBDE 179
Common Name English
BENZENE, 1,2,4,5-TETRABROMO-3-(2,3,6-TRIBROMOPHENOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
K5CNI0T47A
Created by admin on Sat Dec 16 00:21:41 GMT 2023 , Edited by admin on Sat Dec 16 00:21:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID60879976
Created by admin on Sat Dec 16 00:21:41 GMT 2023 , Edited by admin on Sat Dec 16 00:21:41 GMT 2023
PRIMARY
PUBCHEM
14149411
Created by admin on Sat Dec 16 00:21:41 GMT 2023 , Edited by admin on Sat Dec 16 00:21:41 GMT 2023
PRIMARY
CAS
446255-25-0
Created by admin on Sat Dec 16 00:21:41 GMT 2023 , Edited by admin on Sat Dec 16 00:21:41 GMT 2023
PRIMARY