<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:05:03 UTC</creation_date>
  <update_date>2026-08-18 03:37:59 UTC</update_date>
  <accession/>
  <common_name>2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester, homopolymer</common_name>
  <class>SmallMolecule</class>
  <description>2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester, homopolymer belongs to the benzyloxycarbonyls, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 556.70 g/mol, 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester, homopolymer is a heavy molecule. It has the chemical formula C10H5Br5O2.

This compound is utilized as an industrial flame retardant. It has been identified in six recorded sources, including drinking water and water supply systems. Additionally, it is found in electrical and electronic equipment, specifically in antennas, relays, radio transmission systems, communication cables or conductors, and power cables. The recorded exposure route for this substance is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C10H5Br5O2</chemical_formula>
  <average_molecular_weight>556.7</average_molecular_weight>
  <monisotopic_moleculate_weight>555.61654</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>59447-57-3</cas_registry_number>
  <smiles>C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br</smiles>
  <inchi>InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2</inchi>
  <inchikey>GRKDVZMVHOLESV-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>5.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>556.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>555.61654</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H5Br5O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GRKDVZMVHOLESV-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/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>101059</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>91304</chemspider_id>
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  <general_references/>
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</compound>
