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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H2Cl6O2
Molecular Weight 390.861
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3,4,6,7-HEXACHLORODIBENZO-P-DIOXIN

SMILES

ClC1=C(Cl)C2=C(OC3=C(O2)C(Cl)=C(Cl)C(Cl)=C3Cl)C=C1

InChI

InChIKey=NLBQVWJHLWAFGJ-UHFFFAOYSA-N
InChI=1S/C12H2Cl6O2/c13-3-1-2-4-10(5(3)14)20-12-9(18)7(16)6(15)8(17)11(12)19-4/h1-2H

HIDE SMILES / InChI

Molecular Formula C12H2Cl6O2
Molecular Weight 390.861
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Congener fingerprints of tetra- through octa-chlorinated dibenzo-p-dioxins and dibenzofurans in Baltic surface sediments and their relations to potential sources.
2009 Oct
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:35:42 GMT 2023
Edited
by admin
on Fri Dec 15 17:35:42 GMT 2023
Record UNII
D23LQ5FW9I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3,4,6,7-HEXACHLORODIBENZO-P-DIOXIN
Common Name English
PCDD 63
Common Name English
1,2,3,4,6,7-HEXACHLORODIBENZODIOXIN
Systematic Name English
DIBENZO(B,E)(1,4)DIOXIN, 1,2,3,4,6,7-HEXACHLORO-
Systematic Name English
1,2,3,4,6,7-HXCDD
Common Name English
Code System Code Type Description
PUBCHEM
42668
Created by admin on Fri Dec 15 17:35:42 GMT 2023 , Edited by admin on Fri Dec 15 17:35:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID4074063
Created by admin on Fri Dec 15 17:35:42 GMT 2023 , Edited by admin on Fri Dec 15 17:35:42 GMT 2023
PRIMARY
CAS
58200-66-1
Created by admin on Fri Dec 15 17:35:42 GMT 2023 , Edited by admin on Fri Dec 15 17:35:42 GMT 2023
PRIMARY
FDA UNII
D23LQ5FW9I
Created by admin on Fri Dec 15 17:35:42 GMT 2023 , Edited by admin on Fri Dec 15 17:35:42 GMT 2023
PRIMARY