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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H5Cl5O
Molecular Weight 342.433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,4,4',5-PENTACHLORODIPHENYL ETHER

SMILES

ClC1=CC=C(OC2=CC(Cl)=C(Cl)C(Cl)=C2Cl)C=C1

InChI

InChIKey=WSTVMACYLXUQIM-UHFFFAOYSA-N
InChI=1S/C12H5Cl5O/c13-6-1-3-7(4-2-6)18-9-5-8(14)10(15)12(17)11(9)16/h1-5H

HIDE SMILES / InChI

Molecular Formula C12H5Cl5O
Molecular Weight 342.433
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 21:00:56 GMT 2025
Edited
by admin
on Mon Mar 31 21:00:56 GMT 2025
Record UNII
6MEA8U8RFW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,4,4',5-PENTACHLORODIPHENYL ETHER
Common Name English
PCDE 114
Preferred Name English
Code System Code Type Description
FDA UNII
6MEA8U8RFW
Created by admin on Mon Mar 31 21:00:56 GMT 2025 , Edited by admin on Mon Mar 31 21:00:56 GMT 2025
PRIMARY
CAS
113464-17-8
Created by admin on Mon Mar 31 21:00:56 GMT 2025 , Edited by admin on Mon Mar 31 21:00:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID80150416
Created by admin on Mon Mar 31 21:00:56 GMT 2025 , Edited by admin on Mon Mar 31 21:00:56 GMT 2025
PRIMARY
PUBCHEM
93540
Created by admin on Mon Mar 31 21:00:56 GMT 2025 , Edited by admin on Mon Mar 31 21:00:56 GMT 2025
PRIMARY