<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-27 01:42:33 UTC</creation_date>
  <update_date>2026-08-19 08:13:47 UTC</update_date>
  <accession/>
  <common_name>Bromethalin</common_name>
  <class>SmallMolecule</class>
  <description>Bromethalin belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C14H7Br3F3N3O4. With an average molecular weight of 577.93 g/mol, Bromethalin is a heavy molecule.</description>
  <categories/>
  <types>
    <type>Human Neurotoxin</type>
  </types>
  <synonyms>
    <synonym>2,4,6-tribrom-n-[2,4-dinitro-6-(trifluormethyl)phenyl]-n-methylanilin</synonym>
    <synonym>2,4,6-Tribromo-N-(2,4-dinitro-6-(trifluoromethyl)phenyl)-N-methylaniline</synonym>
    <synonym>2,4,6-Tribromo-N-[2,4-dinitro-6-(trifluoromÃƒÆ’Ã‚Â©thyl)phÃƒÆ’Ã‚Â©nyl]-N-mÃƒÆ’Ã‚Â©thylaniline</synonym>
    <synonym>2,4,6-Tribromo-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline</synonym>
    <synonym>4,6-Dinitro-N-methyl-N-(2,4,6-tribromophenyl)-alpha,alpha,alpha-trifluoro-o-toluidine</synonym>
    <synonym>alpha,alpha,alpha-Trifluoro-N-methyl-4,6-dinitro-N-(2,4,6-tribromophenyl)-o-toluidine</synonym>
    <synonym>BENZEMINE  N-METHYL-2 4-DINITRO-N-(2 4 6-TRIBROMOPHENYL)-6-(TRIFLUOROMETHYL)-</synonym>
    <synonym>Benzenamine, 2,4,6-tribromo-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methyl-</synonym>
    <synonym>Benzenamine, 2,4-dinitro-N-methyl-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)-</synonym>
    <synonym>Benzenamine, N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)- (9CI)</synonym>
    <synonym>Bromethalin</synonym>
    <synonym>Bromethalin 100 ng/?l in Cyclohexane</synonym>
    <synonym>Bromethalin 100 ng/Ãƒâ€šÃ‚Âµl in Cyclohexane</synonym>
    <synonym>Bromethalin Bait</synonym>
    <synonym>Bromethalin [ANSI:BSI:ISO]</synonym>
    <synonym>Bromethaline</synonym>
    <synonym>Bromethaline [ISO-French]</synonym>
    <synonym>Gold crest vengeance</synonym>
    <synonym>MFCD01733226</synonym>
    <synonym>N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline</synonym>
    <synonym>N-Methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)benzenamine</synonym>
    <synonym>N-Methyl-2,4-dinitro-N-2,4,6-tribromophenyl(-6)trifluoromethylbenzeneamine</synonym>
    <synonym>NCGC00163743-01</synonym>
    <synonym>o-Toluidine, 4,6-dinitro-N-methyl-N-(2,4,6-tribromophenyl)-alpha,alpha,alpha-trifluoro-</synonym>
    <synonym>UNII-GM59MTH1FS</synonym>
    <synonym>UNII:GM59MTH1FS</synonym>
    <synonym>[2,4-dinitro-6-(trifluoromethyl)phenyl]-methyl-(2,4,6-tribromophenyl)amine</synonym>
    <synonym>[63333-35-7]</synonym>
  </synonyms>
  <chemical_formula>C14H7Br3F3N3O4</chemical_formula>
  <average_molecular_weight>577.934</average_molecular_weight>
  <monisotopic_moleculate_weight>574.793879</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>63333-35-7</cas_registry_number>
  <smiles>CN(C1=C(Br)C=C(Br)C=C1Br)C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(F)(F)F</smiles>
  <inchi>InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3</inchi>
  <inchikey>USMZPYXTVKAYST-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Aniline and substituted anilines</sub_class>
    <direct_parent>Dinitroanilines</direct_parent>
    <alternate_parents>
      <alternative_parent>2-bromoanilines</alternative_parent>
      <alternative_parent>Alkyl fluorides</alternative_parent>
      <alternative_parent>Alkyldiarylamines</alternative_parent>
      <alternative_parent>Aryl bromides</alternative_parent>
      <alternative_parent>Bromobenzenes</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Nitroaromatic compounds</alternative_parent>
      <alternative_parent>Nitrobenzenes</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic oxoazanium compounds</alternative_parent>
      <alternative_parent>Organobromides</alternative_parent>
      <alternative_parent>Organofluorides</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Propargyl-type 1,3-dipolar organic compounds</alternative_parent>
      <alternative_parent>Trifluoromethylbenzenes</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>2-bromoaniline</substituent>
      <substituent>Alkyl fluoride</substituent>
      <substituent>Alkyl halide</substituent>
      <substituent>Alkyldiarylamine</substituent>
      <substituent>Allyl-type 1,3-dipolar organic compound</substituent>
      <substituent>Amine</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Aryl bromide</substituent>
      <substituent>Aryl halide</substituent>
      <substituent>Bromobenzene</substituent>
      <substituent>C-nitro compound</substituent>
      <substituent>Dinitroaniline</substituent>
      <substituent>Halobenzene</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Nitroaromatic compound</substituent>
      <substituent>Nitrobenzene</substituent>
      <substituent>Organic 1,3-dipolar compound</substituent>
      <substituent>Organic nitro compound</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxoazanium</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organobromide</substituent>
      <substituent>Organofluoride</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Propargyl-type 1,3-dipolar organic compound</substituent>
      <substituent>Tertiary aliphatic/aromatic amine</substituent>
      <substituent>Tertiary amine</substituent>
      <substituent>Trifluoromethylbenzene</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>C-nitro compound</descriptor>
      <descriptor>Pesticides</descriptor>
    </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>6.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>577.934</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>574.793879</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CN(C1=C(Br)C=C(Br)C=C1Br)C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C14H7Br3F3N3O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>USMZPYXTVKAYST-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:0x00007f722011be00&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>44465</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>40463</chemspider_id>
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  <general_references/>
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</compound>
