1-chloro-1,3,5-triazinane-2,4,6-trione (CED0168005)

Record Information

Version

1.0

Creation Date

2026-08-22 12:29:34 UTC

Update Date

2026-08-22 12:29:34 UTC

Accession Number

CHEM214977

Identification

Common Name

1-chloro-1,3,5-triazinane-2,4,6-trione

Class

Small Molecule

Description

1-chloro-1,3,5-triazinane-2,4,6-trione is an organic compound with the formula C3H2ClN3O3 and an average molecular weight of 163.52 g/mol. 1-chloro-1,3,5-triazinane-2,4,6-trione belongs to the triazinones, a subclass of triazines within the organic compounds. It is further categorized under the superclass of organoheterocyclic compounds. This substance has been identified in or released from three recorded sources. These include household cleaning and consumer products, specifically soap detergents and bleaching agents, as well as electrical and electronic equipment, specifically fixed capacitors and their manufacture.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃H₂ClN₃O₃

Average Molecular Mass

163.520 g/mol

Monoisotopic Mass

162.978 g/mol

CAS Registry Number

13057-78-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C3H2ClN3O3/c4-7-2(9)5-1(8)6-3(7)10/h(H2,5,6,8,9,10)

InChI Key

ISAOUZVKYLHALD-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1106.0	Log mg/kg	[620:2000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	6220.07
Click to view 3D structure	Dihydrolipoyl dehydrogenase	P9WHH9	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	1985.16
Click to view 3D structure	Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex	P9WIS7	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	1710.97
Click to view 3D structure	DNA topoisomerase 3	P96583	Bacillus subtilis (strain 168)	Predicted (SEA)	177.418
Click to view 3D structure	Tyrosyl-DNA phosphodiesterase 2	O95551	Humans	Predicted (SEA)	3247.87
Click to view 3D structure	Dihydropyrimidine dehydrogenase [NADP(+)]	Q12882	Humans	Predicted (SEA)	12.3002
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 7	P35236	Humans	Predicted (SEA)	5659.4
Click to view 3D structure	Alpha-ketoglutarate-dependent dioxygenase FTO	Q9C0B1	Humans	Predicted (SEA)	2255.68
Click to view 3D structure	Lysine-specific demethylase 4A	O75164	Humans	Predicted (SEA)	4783.6
Click to view 3D structure	Dual specificity protein phosphatase 6	Q64346	Rattus norvegicus	Predicted (SEA)	3661.25
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 22	Q9Y2R2	Humans	Predicted (SEA)	4445.19
Click to view 3D structure	Gamma-butyrobetaine dioxygenase	P80193	Pseudomonas sp. (strain AK-1)	Predicted (SEA)	1240.61
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	7384.62
Click to view 3D structure	Dual specificity protein phosphatase 3	P51452	Humans	Predicted (SEA)	6109.3
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	7179.64
Click to view 3D structure	Sphingosine 1-phosphate receptor 2	O95136	Humans	Predicted (SEA)	6291.54
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7102.34
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	7534.87
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	7175.6
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	7617.08
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7359.09
Click to view 3D structure	Acetyl-coenzyme A synthetase, cytoplasmic	Q9NR19	Humans	Predicted (SEA)	2006.1
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	6781.21
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	7643.16
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	7177.08