<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4533</id>
  <title>T3D4479</title>
  <common-name>Bentazon</common-name>
  <description>Bentazon is a chemical manufactured by BASF Chemicals for use in herbicides. It is categorized under the thiadiazine group of chemicals. Sodium bentazon is available commercially and appears slightly brown in colour. Bentazon has been classified by the EPA as a Group E chemical, because it is believed to be non-carcinogenic to humans (as based on testing conducted on animals). However, there are no studies or experiments that can determine toxic and/or carcinogenic effects of bentazon on humans.</description>
  <cas>25057-89-0</cas>
  <pubchem-id>2328</pubchem-id>
  <chemical-formula>C10H12N2O3S</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:51:38Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:51Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Bentazone</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10965</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O</moldb-smiles>
  <moldb-formula>C10H12N2O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3</moldb-inchi>
  <moldb-inchikey>InChIKey=ZOMSMJKLGFBRBS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">240.279</moldb-average-mass>
  <moldb-mono-mass type="decimal">240.05686295</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1567045</chembl-id>
  <chemspider-id>2238</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>
