<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 11:45:00 UTC</creation_date>
  <update_date>2026-08-19 18:01:45 UTC</update_date>
  <accession/>
  <common_name>1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo-</common_name>
  <class>SmallMolecule</class>
  <description>1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo- is an organic compound with the formula C16H6Br2O4 and an average molecular weight of 422.03 g/mol. 1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo- belongs to the phenanthrenes and derivatives, a class of benzenoids within the organic compounds.

This substance is found in or released from five recorded sources. These include food, food processing and cookware, specifically the processing of meats, as well as electrical and electronic equipment. Within the category of electrical and electronic equipment, the compound is associated with radio transmission systems, television systems, electric hearing aids, and discharge lamps.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo-</synonym>
    <synonym>2,7-DIBROMO-1,2,3,6,7,8-HEXAHYDROPYRENE-1,3,6,8-TETRONE</synonym>
    <synonym>2,7-DIBROMO-1,3,6,8(2H,7H)-PYRENETETRONE</synonym>
    <synonym>2,7-dibromo-1,3,6,8(2h,7h)pyrenetetrone</synonym>
    <synonym>2,7-DIBROMO-2,7-DIHYDROPYRENE-1,3,6,8-TETRONE</synonym>
    <synonym>2,7-Dibromopyrene-1,3,6,8(2H,7H)-tetraone</synonym>
    <synonym>2,7-Dibromopyrene-1,3,6,8(2H,7H)-tetrone</synonym>
    <synonym>271-156-7</synonym>
  </synonyms>
  <chemical_formula>C16H6Br2O4</chemical_formula>
  <average_molecular_weight>422.028</average_molecular_weight>
  <monisotopic_moleculate_weight>419.863284</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>68516-49-4</cas_registry_number>
  <smiles>BrC1C(=O)C2=CC=C3C(=O)C(Br)C(=O)C4=C3C2=C(C=C4)C1=O</smiles>
  <inchi>InChI=1S/C16H6Br2O4/c17-11-13(19)5-1-2-6-10-8(16(22)12(18)14(6)20)4-3-7(9(5)10)15(11)21/h1-4,11-12H/t11-,12+</inchi>
  <inchikey>IRGKJPHTQIWQTD-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>3.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>422.028</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>419.863284</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>BrC1C(=O)C2=CC=C3C(=O)C(Br)C(=O)C4=C3C2=C(C=C4)C1=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H6Br2O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H6Br2O4/c17-11-13(19)5-1-2-6-10-8(16(22)12(18)14(6)20)4-3-7(9(5)10)15(11)21/h1-4,11-12H/t11-,12+</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>IRGKJPHTQIWQTD-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:0x00007f72802b4388&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>110408</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>99119</chemspider_id>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
