<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3951</id>
  <title>T3D3896</title>
  <common-name>Oxyfluorfen</common-name>
  <description>Oxyfluorfen is an exogenous organic compound with the formula C15H11ClF3NO4 and an average molecular weight of 361.70 g/mol. It exists as a solid at room temperature. Oxyfluorfen belongs to the diphenylethers, a subclass of benzene and substituted derivatives within the organic compounds.

This compound is utilized as an industrial biocide. It is found in or released from ten recorded sources, including building and construction materials such as floors, and food, food processing and cookware, specifically molasses and the treatment of molasses. It is also associated with household cleaning and consumer products, specifically cigar cigarettes, and various electrical and electronic equipment, including colour television systems, discharge lamps, electric switches, radio transmission systems, and still video cameras, among two others.

Oxyfluorfen interacts with thirteen recorded protein targets. These include the broad substrate specificity ATP-binding cassette transporter ABCG2, the ATP-dependent translocase ABCB1, the ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38), and cytochrome P450 1A1 (CYP1A1), along with nine other proteins.</description>
  <cas>42874-03-3</cas>
  <pubchem-id>39327</pubchem-id>
  <chemical-formula>C15H11ClF3NO4</chemical-formula>
  <weight>361.7</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2013-04-25T07:56:53Z</created-at>
  <updated-at type="dateTime">2026-08-19T08:53:33Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C18881</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOC1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O</moldb-smiles>
  <moldb-formula>C15H11ClF3NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3</moldb-inchi>
  <moldb-inchikey>OQMBBFQZGJFLBU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">361.7</moldb-average-mass>
  <moldb-mono-mass type="decimal">361.032870167</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL1871400</chembl-id>
  <chemspider-id>35974</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002857</chemdb-id>
  <dsstox-id>DTXSID7024241</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000559</susdat-id>
  <iupac>2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene</iupac>
  <moldb-polar-surface-area>64.28</moldb-polar-surface-area>
  <moldb-refractivity>81.61379999999998</moldb-refractivity>
  <moldb-polarizability>30.337964298065916</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-4.968604300532874</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>4.60</moldb-alogps-logp>
  <moldb-alogps-logs>-5.67</moldb-alogps-logs>
  <moldb-alogps-solubility>7.79e-04 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Diphenylethers</subklass>
  <paper-count type="integer">198</paper-count>
  <sync-id>CED0010758</sync-id>
  <structure-inchikey>OQMBBFQZGJFLBU-UHFFFAOYSA-N</structure-inchikey>
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  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:00:59Z</structure-indexed-at>
</compound>
