<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 16:39:02 UTC</creation_date>
  <update_date>2026-08-18 21:12:50 UTC</update_date>
  <accession/>
  <common_name>2,3',4,4',6-Pentabromodiphenyl Ether (BDE 119)</common_name>
  <class>SmallMolecule</class>
  <description>2,3',4,4',6-Pentabromodiphenyl Ether (BDE 119) belongs to the diphenylethers, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 564.69 g/mol, 2,3',4,4',6-Pentabromodiphenyl Ether (BDE 119) is a heavy molecule. This benzenoid compound has the chemical formula C12H5Br5O. It is found in or released from indoor air, dust, and atmospheric transport. The recorded exposure route for this substance is inhalation.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C12H5Br5O</chemical_formula>
  <average_molecular_weight>564.691</average_molecular_weight>
  <monisotopic_moleculate_weight>559.6257253</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>189084-66-0</cas_registry_number>
  <smiles>BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2)C(Br)=C1</smiles>
  <inchi>InChI=1S/C12H5Br5O/c13-6-3-10(16)12(11(17)4-6)18-7-1-2-8(14)9(15)5-7/h1-5H</inchi>
  <inchikey>KXEOYBYEJCRPGB-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <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>6.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>564.691</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>559.6257253</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2)C(Br)=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H5Br5O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H5Br5O/c13-6-3-10(16)12(11(17)4-6)18-7-1-2-8(14)9(15)5-7/h1-5H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>KXEOYBYEJCRPGB-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>15509897</pubchem_compound_id>
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