<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 16:35:38 UTC</creation_date>
  <update_date>2026-08-18 22:15:29 UTC</update_date>
  <accession/>
  <common_name>2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl ether (BDE 207)</common_name>
  <class>SmallMolecule</class>
  <description>2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl ether (BDE 207) belongs to the diphenylethers, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 880.27 g/mol, 2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl ether (BDE 207) is a heavy molecule. It has the chemical formula C12HBr9O.

This compound is found in or released from indoor air, as well as food contact materials. Exposure routes for BDE 207 include inhalation, oral, and touch.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C12HBr9O</chemical_formula>
  <average_molecular_weight>880.275</average_molecular_weight>
  <monisotopic_moleculate_weight>871.2677736</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>437701-79-6</cas_registry_number>
  <smiles>BrC1=CC(Br)=C(Br)C(Br)=C1OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br</smiles>
  <inchi>InChI=1S/C12HBr9O/c13-2-1-3(14)11(8(19)4(2)15)22-12-9(20)6(17)5(16)7(18)10(12)21/h1H</inchi>
  <inchikey>IEEVDIAVLGLVOW-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>9.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>880.275</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>871.2677736</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>BrC1=CC(Br)=C(Br)C(Br)=C1OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12HBr9O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12HBr9O/c13-2-1-3(14)11(8(19)4(2)15)22-12-9(20)6(17)5(16)7(18)10(12)21/h1H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>IEEVDIAVLGLVOW-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72245c0510&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>11018364</pubchem_compound_id>
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