<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 10:30:22 UTC</creation_date>
  <update_date>2026-08-24 01:40:59 UTC</update_date>
  <accession/>
  <common_name>Benzoic acid, 2-hydroxy-3,5-dinitro-</common_name>
  <class>SmallMolecule</class>
  <description>Benzoic acid, 2-hydroxy-3,5-dinitro- is an organic compound with the chemical formula C7H4N2O7 and an average molecular weight of 228.12 g/mol. Benzoic acid, 2-hydroxy-3,5-dinitro- belongs to the nitrophenols, a subclass of phenols within the organic compounds. It is further classified as a member of the benzenoids superclass.

The compound is associated with 12 recorded sources across several categories. Within the realm of food, food processing, and cookware, it is found in the preparation of malt and vinegar, molasses and the treatment of molasses, food preservation, and fermentation processes for beer, among two other sources. In the category of household cleaning and consumer products, it is released from soap detergents and cigar cigarettes. Additionally, it is linked to electrical and electronic equipment, specifically radio transmission systems, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>'609-99-4</synonym>
    <synonym>1H-imidazole, 2-ethyl-5-methyl-</synonym>
    <synonym>2-hydroxy-3,5-dinitro-benzoic acid</synonym>
    <synonym>2-Hydroxy-3,5-dinitrobenzoic acid</synonym>
    <synonym>2-Hydroxy-3,5-dinitrobenzoicacid</synonym>
    <synonym>2220661</synonym>
    <synonym>2758942</synonym>
    <synonym>3, 5-Dinitro-2-hydroxybenzoic acid</synonym>
    <synonym>3, 5-Dinitrosalicylic acid</synonym>
    <synonym>3,5-Dinitro-2-hydroxybenzoic acid</synonym>
    <synonym>3,5-dinitro-2-salicylic acid</synonym>
    <synonym>3,5-Dinitrosalicylate</synonym>
    <synonym>3,5-Dinitrosalicylic acid</synonym>
    <synonym>3,5-Dinitrosalicylic acid (lead salt) (dry) [Forbidden]</synonym>
    <synonym>3,5-dinitrosalicylicacid</synonym>
    <synonym>Benzoic acid, 2-hydroxy-3,5-dinitro-</synonym>
    <synonym>BENZOIC ACID,3,5-DINITRO,2-HYDROXY</synonym>
    <synonym>DNS</synonym>
    <synonym>DNSA</synonym>
    <synonym>o-dinitrocarboxylphenol</synonym>
    <synonym>o-DNCP</synonym>
    <synonym>Salicylic acid, 3, 5-dinitro-</synonym>
    <synonym>salicylic acid, 3,5-dinitro-</synonym>
    <synonym>TL8003862</synonym>
    <synonym>[609-99-4]</synonym>
  </synonyms>
  <chemical_formula>C7H4N2O7</chemical_formula>
  <average_molecular_weight>228.116</average_molecular_weight>
  <monisotopic_moleculate_weight>228.00185</monisotopic_moleculate_weight>
  <iupac_name>2-hydroxy-3,5-dinitrobenzoic acid</iupac_name>
  <traditional_iupac>3,5-dinitrosalicylic acid</traditional_iupac>
  <cas_registry_number>609-99-4</cas_registry_number>
  <smiles>OC(=O)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O</smiles>
  <inchi>InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)</inchi>
  <inchikey>LWFUFLREGJMOIZ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Phenols</class>
    <sub_class>Nitrophenols</sub_class>
    <direct_parent>Dinitrophenols</direct_parent>
    <alternate_parents>
      <alternative_parent>Benzoic acids</alternative_parent>
      <alternative_parent>Benzoyl derivatives</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Nitroaromatic compounds</alternative_parent>
      <alternative_parent>Nitrobenzenes</alternative_parent>
      <alternative_parent>Nitrobenzoic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic oxoazanium compounds</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Propargyl-type 1,3-dipolar organic compounds</alternative_parent>
      <alternative_parent>Salicylic acids</alternative_parent>
      <alternative_parent>Vinylogous acids</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Allyl-type 1,3-dipolar organic compound</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Benzoic acid</substituent>
      <substituent>Benzoic acid or derivatives</substituent>
      <substituent>Benzoyl</substituent>
      <substituent>C-nitro compound</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Dinitrophenol</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Hydroxybenzoic acid</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Nitroaromatic compound</substituent>
      <substituent>Nitrobenzene</substituent>
      <substituent>Nitrobenzoate</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>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Propargyl-type 1,3-dipolar organic compound</substituent>
      <substituent>Salicylic acid</substituent>
      <substituent>Salicylic acid or derivatives</substituent>
      <substituent>Vinylogous acid</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>C-nitro compound</descriptor>
      <descriptor>monohydroxybenzoic acid</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>1.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.80</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.11</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.77e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>1.57</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-8.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2-hydroxy-3,5-dinitrobenzoic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>228.116</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>228.00185</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC(=O)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H4N2O7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LWFUFLREGJMOIZ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>143.81</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>47.94</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>17.67</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</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:0x00007f3bb004aa18&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>11873</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>11380</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
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  <wikipidia/>
  <general_references/>
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  </targets>
</compound>
