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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H3Cl5O2
Molecular Weight 356.416
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,4,7,9-PENTACHLORODIBENZO-P-DIOXIN

SMILES

ClC1=CC2=C(OC3=C(Cl)C(Cl)=CC(Cl)=C3O2)C(Cl)=C1

InChI

InChIKey=QLBBXWPVEFJZEC-UHFFFAOYSA-N
InChI=1S/C12H3Cl5O2/c13-4-1-6(15)10-8(2-4)18-11-7(16)3-5(14)9(17)12(11)19-10/h1-3H

HIDE SMILES / InChI

Molecular Formula C12H3Cl5O2
Molecular Weight 356.416
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 Mon Mar 31 20:14:05 GMT 2025
Edited
by admin
on Mon Mar 31 20:14:05 GMT 2025
Record UNII
CH9NOD25WT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,4,7,9-PENTACHLORODIBENZO-P-DIOXIN
Common Name English
1,2,4,7,9-PECDD
Preferred Name English
DIBENZO(B,E)(1,4)DIOXIN, 1,2,4,7,9-PENTACHLORO-
Systematic Name English
PCDD 61
Common Name English
1,2,4,7,9-PENTACHLORODIBENZODIOXIN
Systematic Name English
Code System Code Type Description
PUBCHEM
54847
Created by admin on Mon Mar 31 20:14:05 GMT 2025 , Edited by admin on Mon Mar 31 20:14:05 GMT 2025
PRIMARY
FDA UNII
CH9NOD25WT
Created by admin on Mon Mar 31 20:14:05 GMT 2025 , Edited by admin on Mon Mar 31 20:14:05 GMT 2025
PRIMARY
CAS
82291-37-0
Created by admin on Mon Mar 31 20:14:05 GMT 2025 , Edited by admin on Mon Mar 31 20:14:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID8074108
Created by admin on Mon Mar 31 20:14:05 GMT 2025 , Edited by admin on Mon Mar 31 20:14:05 GMT 2025
PRIMARY