<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 05:39:21 UTC</creation_date>
  <update_date>2026-08-18 04:09:34 UTC</update_date>
  <accession/>
  <common_name>1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene</common_name>
  <class>SmallMolecule</class>
  <description>1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene is an organic compound with the chemical formula C10H6F7NO3 and an average molecular weight of 321.15 g/mol. 1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds.

This substance is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with capacitors, cell phones, printed circuit boards, wires and cables, batteries, and one additional source. Within the textiles, leather and furnishings sector, it is linked to carpets, rugs, and synthetic textiles. It is also found in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in lubricants used in both industrial manufacturing and chemical processing, as well as in the energy, oil and gas sector. One other sector is also recorded as a source. Recorded exposure routes for this compound include touch, oral, and inhalation.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C10H6F7NO3</chemical_formula>
  <average_molecular_weight>321.151</average_molecular_weight>
  <monisotopic_moleculate_weight>321.0235906</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>109230-68-4</cas_registry_number>
  <smiles>[O-][N+](=O)C1=CC=C(OCC(F)(F)C(F)(F)C(F)(F)F)C=C1</smiles>
  <inchi>InChI=1S/C10H6F7NO3/c11-8(12,9(13,14)10(15,16)17)5-21-7-3-1-6(2-4-7)18(19)20/h1-4H,5H2</inchi>
  <inchikey>AZABPWAOUQABLY-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>4.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>321.151</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>321.0235906</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[O-][N+](=O)C1=CC=C(OCC(F)(F)C(F)(F)C(F)(F)F)C=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H6F7NO3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H6F7NO3/c11-8(12,9(13,14)10(15,16)17)5-21-7-3-1-6(2-4-7)18(19)20/h1-4H,5H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>AZABPWAOUQABLY-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:0x00007f7221e05e80&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>17828877</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
