<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 16:19:43 UTC</creation_date>
  <update_date>2026-08-22 11:52:29 UTC</update_date>
  <accession/>
  <common_name>C.I. Pigment Yellow 176</common_name>
  <class>SmallMolecule</class>
  <description>C.I. Pigment Yellow 176 is a chemical compound with the formula C36H33Cl3N6O6. C.I. Pigment Yellow 176 belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 752.00 g/mol, C.I. Pigment Yellow 176 is a heavy molecule.

The compound has been identified in or released from 19 recorded sources. These include aquatic systems and sediments, specifically groundwater, surface water, seawater, and freshwater. It is also found in drinking water and water supply sources, such as tap water, bottled water, and desalinated water. Within the sector of wastewater, sanitation, and biosolids, it appears in industrial wastewater, wastewater treatment effluent, mine wastewater, and unspecified wastewater. Additionally, the compound is associated with appliances, HVAC, and refrigerants, specifically water coolers and water heaters. It is recorded in marine, shipping, and aquaculture sources, including ballast water and bilge water, as well as in agriculture and land management via irrigation water, among two other sectors. Recorded exposure routes for C.I. Pigment Yellow 176 include inhalation, oral, and touch.</description>
  <categories/>
  <types>
    <type>PMT</type>
  </types>
  <synonyms/>
  <chemical_formula>C36H33Cl3N6O6</chemical_formula>
  <average_molecular_weight>752.0</average_molecular_weight>
  <monisotopic_moleculate_weight>750.1527158</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>90268-24-9</cas_registry_number>
  <smiles>CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl)C</smiles>
  <inchi>InChI=1S/C36H33Cl3N6O6/c1-18-7-10-27(19(2)13-18)40-35(48)33(20(3)46)44-42-28-11-8-22(14-24(28)37)23-9-12-29(25(38)15-23)43-45-34(21(4)47)36(49)41-30-17-31(50-5)26(39)16-32(30)51-6/h7-17,33-34H,1-6H3,(H,40,48)(H,41,49)</inchi>
  <inchikey>CTCGHGAGCLXAHB-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>9.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>752.0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>750.1527158</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C36H33Cl3N6O6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C36H33Cl3N6O6/c1-18-7-10-27(19(2)13-18)40-35(48)33(20(3)46)44-42-28-11-8-22(14-24(28)37)23-9-12-29(25(38)15-23)43-45-34(21(4)47)36(49)41-30-17-31(50-5)26(39)16-32(30)51-6/h7-17,33-34H,1-6H3,(H,40,48)(H,41,49)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CTCGHGAGCLXAHB-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7224b867d8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>44153097</pubchem_compound_id>
  <chembl_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
