<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:39:58 UTC</creation_date>
  <update_date>2026-05-14 19:53:56 UTC</update_date>
  <accession/>
  <common_name>Dichloroisocyanuric acid</common_name>
  <class>SmallMolecule</class>
  <description>Dichloroisocyanuric acid is an organic compound with the chemical formula C3HCl2N3O3 and an average molecular weight of 197.96 g/mol. Dichloroisocyanuric acid belongs to the triazinones, a subclass of triazines within the organic compounds.

This substance is found in or released from 39 recorded sources across several sectors. Within the category of electrical and electronic equipment, it is associated with amplifiers, antennas, auxiliary devices, coils, and communication cables or conductors, among 15 other sources. In the realm of household cleaning and consumer products, it is identified in bleaching agents, cigar cigarettes, match receptacles or boxes, non-electric simulated smoking devices, and pipe accessories, as well as three additional sources. Furthermore, it is present in building and construction materials, including ceilings, fencing, floors, ladders, and roofs, among two other sources. In the food, food processing, and cookware sectors, it is utilized in the treatment of hops, the processing of meats, the processing of fish, and the preparation of wort.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt</synonym>
    <synonym>1,3-dichloro-1,3,5-triazinane-2,4,6-trione</synonym>
    <synonym>Troclosene</synonym>
  </synonyms>
  <chemical_formula>C3HCl2N3O3</chemical_formula>
  <average_molecular_weight>197.96</average_molecular_weight>
  <monisotopic_moleculate_weight>196.9394963</monisotopic_moleculate_weight>
  <iupac_name>1,3-dichloro-6-hydroxy-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione</iupac_name>
  <traditional_iupac>dichloroisocyanuric acid</traditional_iupac>
  <cas_registry_number>2782-57-2</cas_registry_number>
  <smiles>OC1=NC(=O)N(Cl)C(=O)N1Cl</smiles>
  <inchi>InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)</inchi>
  <inchikey>CEJLBZWIKQJOAT-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Triazines</class>
    <sub_class>Triazinones</sub_class>
    <direct_parent>Triazinones</direct_parent>
    <alternate_parents>
      <alternative_parent>1,3,5-triazines</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1,3,5-triazine</substituent>
      <substituent>Aromatic heteromonocyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Triazinone</substituent>
    </substituents>
    <molecular_framework>Aromatic heteromonocyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.49</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.48</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.65</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.44e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>2.74</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1,3-dichloro-6-hydroxy-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>197.96</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>196.9394963</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC1=NC(=O)N(Cl)C(=O)N1Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C3HCl2N3O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CEJLBZWIKQJOAT-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>73.21</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>35.72</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>14.08</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae59ecf0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB15960</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>16726</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>15857</chemspider_id>
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  <biocyc_id/>
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  <wikipidia/>
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</compound>
