<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4999</id>
  <title>T3D4944</title>
  <common-name>1-Nitronaphthalene</common-name>
  <description>1-nitronaphthalene (1-NN) is a common air pollutant in urban areas.  It can react with ozone and will form reactive electrophiles that have been shown to bind covalently to specific proteins. 1-Nitronaphthalene is synthesized by the action of a mixture of nitric and sulfuric acids on finely ground naphthalene. 1-nitronaphthalene is used as a chemical intermediate in the manufacture of dyes (drugs, perfumes, rubber chemicals, tanning agents and pesticides) and as a fluorescence quencher for mineral oils.  1-NN is also found in the gas phase of diesel exhaust, making it one of the more common airborne pollutants. It has been detected in some carbon blacks as well as in particulate exhaust of diesel engines and has been found at low concentrations in ambient air.</description>
  <cas>86-57-7</cas>
  <pubchem-id></pubchem-id>
  <chemical-formula>C10H7NO2</chemical-formula>
  <weight nil="true"/>
  <appearance>Yellow needles or green-red to brown crystals.</appearance>
  <melting-point>61.5°C</melting-point>
  <boiling-point>304°C</boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Inhalation</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>1-Nitronaphthalene and its reactive products specifically targets the airway epithelium. Its toxicity is synergized by prior long-term ozone exposure. 1-NN appears to specifically target peroxiredoxin 6 and biliverdin reductase as well as the N-terminal region of calreticulin.
</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>3, not classifiable as to its carcinogenicity to humans. (L135)</carcinogenicity>
  <use-source>Industrial intermediate, used in production of dyes, found in diesel exhast, air pollutant</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Health effects: May cause eye, skin, respiratory tract and digestive tract irritation.  Chronic exposure may cause cancer (based on animal studies).</health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-17T20:01:34Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:27:00Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>6849</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>O=N(=O)C1=CC=CC2=CC=CC=C12</moldb-smiles>
  <moldb-formula>C10H7NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H</moldb-inchi>
  <moldb-inchikey>InChIKey=RJKGJBPXVHTNJL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">173.1681</moldb-average-mass>
  <moldb-mono-mass type="decimal">173.047678473</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL165373</chembl-id>
  <chemspider-id>6588</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"/>
</compound>
