<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 13:31:26 UTC</creation_date>
  <update_date>2026-08-18 03:46:37 UTC</update_date>
  <accession/>
  <common_name>Toluene-2,4,6-triyl triisocyanate</common_name>
  <class>SmallMolecule</class>
  <description>Toluene-2,4,6-triyl triisocyanate is an organic compound with the chemical formula $\text{C}_{10}\text{H}_5\text{N}_3\text{O}_3$ and an average molecular weight of 215.17 g/mol. Toluene-2,4,6-triyl triisocyanate belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. Within the broader chemical hierarchy, it is classified under the superclass of benzenoids.

This compound is associated with six recorded sources of presence or release. These sources include building and construction materials, specifically fencing, floors, tents, or canopies. It is also found in electrical and electronic equipment, including antennas, cores, yokes, or armatures. Additionally, it is released from sources related to food, food processing, and cookware, specifically in the processing of meats.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1,3,5-Triisocyanato-2-methylbenzene</synonym>
    <synonym>230-932-5</synonym>
    <synonym>Benzene, 1,3,5-triisocyanato-2-methyl-</synonym>
    <synonym>toluene-2,4,6-triyl triisocyanate</synonym>
  </synonyms>
  <chemical_formula>C10H5N3O3</chemical_formula>
  <average_molecular_weight>215.168</average_molecular_weight>
  <monisotopic_moleculate_weight>215.033091</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>7373-26-4</cas_registry_number>
  <smiles>CC1=C(C=C(C=C1N=C=O)N=C=O)N=C=O</smiles>
  <inchi>InChI=1S/C10H5N3O3/c1-7-9(12-5-15)2-8(11-4-14)3-10(7)13-6-16/h2-3H,1H3</inchi>
  <inchikey>PFUKECZPRROVOD-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <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>4.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>215.168</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>215.033091</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=C(C=C(C=C1N=C=O)N=C=O)N=C=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H5N3O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H5N3O3/c1-7-9(12-5-15)2-8(11-4-14)3-10(7)13-6-16/h2-3H,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PFUKECZPRROVOD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf8327b30&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>81845</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>73854</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
