| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 03:53:08 UTC |
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| Update Date | 2016-11-09 01:15:31 UTC |
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| Accession Number | CHEM017047 |
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| Identification |
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| Common Name | Sodium dichloroisocyanurate |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Klorsept | Kegg | | SODIUM dichloroisocyanuric acid | Generator | | Potassium dichloro-S-triazinetrione | MeSH | | Sodium dichloro-S-triazine-2,4,6(1H,3H,5H)-trione | MeSH | | Presept | MeSH | | Troclosene | MeSH | | Chlorcyanurate | MeSH | | Dikon | MeSH | | Neoaquasept | MeSH | | Troclosene, potassium salt | MeSH | | Actichlor | MeSH | | Dichloroisocyanuric acid | MeSH | | Chlordezine | MeSH | | Troclosene, sodium salt | MeSH | | Dikonit | MeSH | | Chlordesine | MeSH | | Troclosene, sodium salt, dihydrate | MeSH | | Sodium dichloroisocyanurate | KEGG | | Sodium dichloroisocyanate | Generator | | Sodium dichloroisocyanic acid | Generator |
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| Chemical Formula | C3Cl2N3NaO3 |
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| Average Molecular Mass | 219.940 g/mol |
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| Monoisotopic Mass | 218.921 g/mol |
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| CAS Registry Number | 2893-78-9 |
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| IUPAC Name | sodium 1,5-dichloro-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-olate |
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| Traditional Name | sodium 1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate |
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| SMILES | [Na+].[O-]C1=NC(=O)N(Cl)C(=O)N1Cl |
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| InChI Identifier | InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1 |
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| InChI Key | MSFGZHUJTJBYFA-UHFFFAOYSA-M |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as triazinones. Triazinones are compounds containing a triazine ring which bears a ketone group a carbon atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Triazines |
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| Sub Class | Triazinones |
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| Direct Parent | Triazinones |
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| Alternative Parents | |
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| Substituents | - Triazinone
- 1,3,5-triazine
- Heteroaromatic compound
- Organic alkali metal salt
- Azacycle
- Organic metal halide
- Organopnictogen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic sodium salt
- Organic salt
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0090000000-230080698100265e270b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-1390000000-84d5053f1abedac105a8 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0032-9000000000-cd337877f61424994c0f | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 517121 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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