<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-14 15:07:21 UTC</creation_date>
  <update_date>2026-08-23 13:11:58 UTC</update_date>
  <accession/>
  <common_name>4-Nitrophenyl Phosphate</common_name>
  <class>SmallMolecule</class>
  <description>4-Nitrophenyl Phosphate is an organic compound with the formula C6H6NO6P and an average molecular weight of 219.09 g/mol. 4-Nitrophenyl Phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds.

This compound is found in or released from 18 recorded sources. These sources include food, food processing and cookware, specifically in food preservation and the preparation of wine or sparkling wine. It is also associated with household cleaning and consumer products, such as soap detergents, bleaching agents, perfumes within detergents and soaps, and tobacco smoke filters. Additionally, it is released from electrical and electronic equipment, including amplifiers, antennas, electrodes, hybrid capacitors, conductors or conductive bodies characterised by the conductive materials, and seven other sources.

Regarding its biological activity, 4-Nitrophenyl Phosphate interacts with four recorded protein targets. It acts as an inhibitor of low molecular weight phosphotyrosine protein phosphatase (ACP1) and dual specificity protein phosphatase 23 (DUSP23). Furthermore, it targets carbonic anhydrase 1 (CA1) and carbonic anhydrase 2 (CA2).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C6H6NO6P</chemical_formula>
  <average_molecular_weight>219.0887</average_molecular_weight>
  <monisotopic_moleculate_weight>218.993273441</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>330-13-2</cas_registry_number>
  <smiles>OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O</smiles>
  <inchi>InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)</inchi>
  <inchikey>XZKIHKMTEMTJQX-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>0.96</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>219.0887</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>218.993273441</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H6NO6P</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XZKIHKMTEMTJQX-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/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f552308&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB04214</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>378</pubchem_compound_id>
  <chembl_id/>
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</compound>
