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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H9Cl3O3
Molecular Weight 235.493
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-TRIS(CHLOROMETHYL)-1,3,5-TRIOXANE

SMILES

ClCC1OC(CCl)OC(CCl)O1

InChI

InChIKey=DZPKGHCUNRKJJO-UHFFFAOYSA-N
InChI=1S/C6H9Cl3O3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h4-6H,1-3H2

HIDE SMILES / InChI

Molecular Formula C6H9Cl3O3
Molecular Weight 235.493
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 21:50:10 GMT 2025
Edited
by admin
on Mon Mar 31 21:50:10 GMT 2025
Record UNII
KV5042R39T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,6-TRIS(CHLOROMETHYL)-1,3,5-TRIOXANE
Systematic Name English
NSC-146373
Preferred Name English
S-TRIOXANE, 2,4,6-TRIS(CHLOROMETHYL)-
Systematic Name English
1,3,5-TRIOXANE, 2,4,6-TRIS(CHLOROMETHYL)-
Systematic Name English
CHLOROACETALDEHYDE TRIMER
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
214-450-2
Created by admin on Mon Mar 31 21:50:10 GMT 2025 , Edited by admin on Mon Mar 31 21:50:10 GMT 2025
PRIMARY
NSC
146373
Created by admin on Mon Mar 31 21:50:10 GMT 2025 , Edited by admin on Mon Mar 31 21:50:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID30150204
Created by admin on Mon Mar 31 21:50:10 GMT 2025 , Edited by admin on Mon Mar 31 21:50:10 GMT 2025
PRIMARY
CAS
1129-52-8
Created by admin on Mon Mar 31 21:50:10 GMT 2025 , Edited by admin on Mon Mar 31 21:50:10 GMT 2025
PRIMARY
PUBCHEM
70794
Created by admin on Mon Mar 31 21:50:10 GMT 2025 , Edited by admin on Mon Mar 31 21:50:10 GMT 2025
PRIMARY
FDA UNII
KV5042R39T
Created by admin on Mon Mar 31 21:50:10 GMT 2025 , Edited by admin on Mon Mar 31 21:50:10 GMT 2025
PRIMARY