<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 10:49:30 UTC</creation_date>
  <update_date>2026-08-23 16:09:38 UTC</update_date>
  <accession/>
  <common_name>(2-Nitrophenyl)-phosphoric triamide</common_name>
  <class>SmallMolecule</class>
  <description>(2-Nitrophenyl)-phosphoric triamide belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C6H9N4O3P1 and an average molecular weight of 216.14 g/mol.

The substance has been identified in or released from 19 recorded sources across several sectors. Within drinking water and water supply, it is found in tap water, bottled water, desalinated water, and drinking water. In aquatic systems and sediments, it is present in freshwater, seawater, surface water, and groundwater. In the sector of wastewater, sanitation, and biosolids, it appears in wastewater, unspecified wastewater, wastewater treatment effluent, and industrial wastewater, as well as mine wastewater. Other recorded sources include irrigation water from agriculture and land management, and ballast water and bilge water from marine, shipping, and aquaculture. Additionally, it is found in appliances, HVAC, and refrigerants, specifically in water heaters and water coolers, along with two other sectors. Recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PMT</type>
  </types>
  <synonyms>
    <synonym>(2-Nitrophenyl)-phosphoric triamide</synonym>
    <synonym>(2-Nitrophenyl)-phosphorictriamide</synonym>
    <synonym>N-(2-Nitrophenyl)phosphoric triamide</synonym>
    <synonym>N-(DIAMINOPHOSPHORYL)-2-NITROANILINE</synonym>
    <synonym>N-diaminophosphoryl-2-nitroaniline</synonym>
    <synonym>Phosphoric triamide, (2-nitrophenyl)-</synonym>
    <synonym>Phosphoric triamide, N-(2-nitrophenyl)-</synonym>
    <synonym>[874819-71-3]</synonym>
  </synonyms>
  <chemical_formula>C6H9N4O3P1</chemical_formula>
  <average_molecular_weight>216.137</average_molecular_weight>
  <monisotopic_moleculate_weight>216.041227</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>874819-71-3</cas_registry_number>
  <smiles>NP(N)(=O)NC1=CC=CC=C1[N+]([O-])=O</smiles>
  <inchi>InChI=1S/C6H9N4O3P/c7-14(8,13)9-5-3-1-2-4-6(5)10(11)12/h1-4H,(H5,7,8,9,13)</inchi>
  <inchikey>GDPVISFVPDYFPN-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>0</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>216.137</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>216.041227</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>NP(N)(=O)NC1=CC=CC=C1[N+]([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H9N4O3P1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H9N4O3P/c7-14(8,13)9-5-3-1-2-4-6(5)10(11)12/h1-4H,(H5,7,8,9,13)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GDPVISFVPDYFPN-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:0x00007f726c09b9c0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>11672960</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>9847690</chemspider_id>
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</compound>
