<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:10:02 UTC</creation_date>
  <update_date>2018-05-29 00:56:28 UTC</update_date>
  <accession>FDB012175</accession>
  <name>Dichlorvos</name>
  <description>It is used as a household and public health fumigant, for crop protection and as an anthelmintic in animal feeds

Dichlorvos or 2,2-dichlorovinyl dimethyl phosphate (DDVP) is a highly volatile organophosphate, widely used as a insecticide to control household pests, in public health, and protecting stored product from insects. It is effective against mushroom flies, aphids, spider mites, caterpillars, thrips, and whiteflies in greenhouse, outdoor fruit, and vegetable crops.</description>
  <synonyms>
    <synonym>2,2-Dichloroethenol dimethyl ate</synonym>
    <synonym>2,2-Dichloroethenol dimethyl phosphate</synonym>
    <synonym>2,2-Dichloroethenyl dimethyl ate</synonym>
    <synonym>2,2-Dichloroethenyl dimethyl ic acid</synonym>
    <synonym>2,2-Dichloroethenyl dimethyl phosphate</synonym>
    <synonym>2,2-Dichloroethenyl oric acid dimethyl ester</synonym>
    <synonym>2,2-Dichloroethenyl phosphoric acid dimethyl ester</synonym>
    <synonym>2,2-Dichlorovinyl alcohol dimethyl ate</synonym>
    <synonym>2,2-Dichlorovinyl alcohol dimethyl phosphate</synonym>
    <synonym>2,2-Dichlorovinyl dimethyl ate, 8ci</synonym>
    <synonym>2,2-Dichlorovinyl dimethyl oric acid ester</synonym>
    <synonym>2,2-Dichlorovinyl dimethyl phosphate, 8CI</synonym>
    <synonym>2,2-Dichlorovinyl dimethyl phosphoric acid ester</synonym>
    <synonym>2,2-Dichlorovinyl-O,O-dimethyl ate</synonym>
    <synonym>2,2-Dichlorovinyl-O,O-dimethyl phosphate</synonym>
    <synonym>2,2-Dimethyldichlorovinyl ate</synonym>
    <synonym>2,2-Dimethyldichlorovinyl phosphate</synonym>
    <synonym>Algard</synonym>
    <synonym>Apavap</synonym>
    <synonym>Aquaguard</synonym>
    <synonym>Astrobot</synonym>
    <synonym>Atgard</synonym>
    <synonym>Atgard (TN)</synonym>
    <synonym>Benfos</synonym>
    <synonym>Bibesol</synonym>
    <synonym>Brevinyl</synonym>
    <synonym>Canogard</synonym>
    <synonym>Cekusan</synonym>
    <synonym>Chlorvinphos</synonym>
    <synonym>Cyanophos</synonym>
    <synonym>Cypona</synonym>
    <synonym>DDVP</synonym>
    <synonym>DDVP (insecticide)</synonym>
    <synonym>Dichloroethenyl dimethyl ate</synonym>
    <synonym>Dichloroethenyl dimethyl phosphate</synonym>
    <synonym>Dichlorophos</synonym>
    <synonym>Diclorvos</synonym>
    <synonym>Dimethyl 2,2-dichloroethenyl ate</synonym>
    <synonym>Dimethyl 2,2-dichloroethenyl phosphate</synonym>
    <synonym>Dimethyl 2,2-dichlorovinyl ate</synonym>
    <synonym>Dimethyl 2,2-dichlorovinyl ic acid</synonym>
    <synonym>Dimethyl 2,2-dichlorovinyl phosphate</synonym>
    <synonym>Dimethyl dichlorovinyl ate</synonym>
    <synonym>Dimethyl dichlorovinyl phosphate</synonym>
    <synonym>Dimethyl O,O-dichlorovinyl-2,2-ate</synonym>
    <synonym>Dimethyl O,O-dichlorovinyl-2,2-phosphate</synonym>
    <synonym>Dimethyl-2,2-dichlorovinyl ate</synonym>
    <synonym>Dimethyl-2,2-dichlorovinyl ic acid</synonym>
    <synonym>Dimethyl-2,2-dichlorovinyl phosphate</synonym>
    <synonym>Dimethyldichlorovinyl ate</synonym>
    <synonym>Dimethyldichlorovinyl phosphate</synonym>
    <synonym>Divipan</synonym>
    <synonym>Duravos</synonym>
    <synonym>Equigand</synonym>
    <synonym>Equigard</synonym>
    <synonym>Equigel</synonym>
    <synonym>Equiguard</synonym>
    <synonym>Ethenol, 2,2-dichloro-, dimethyl ate</synonym>
    <synonym>Ethenol, 2,2-dichloro-, dimethyl phosphate</synonym>
    <synonym>Fecama</synonym>
    <synonym>Herkal</synonym>
    <synonym>Herkol</synonym>
    <synonym>Insectigas D</synonym>
    <synonym>Krecalvin</synonym>
    <synonym>Lindan</synonym>
    <synonym>Lindanmafu</synonym>
    <synonym>Nerkol</synonym>
    <synonym>Nogos</synonym>
    <synonym>Novotox</synonym>
    <synonym>NSC 6738</synonym>
    <synonym>Nuvan</synonym>
    <synonym>O-(2,2-Dichloroethenyl) O,O-dimethyl ate, 9ci</synonym>
    <synonym>O-(2,2-Dichloroethenyl) O,O-dimethyl phosphate, 9CI</synonym>
    <synonym>O-(2,2-Dichlorvinyl)-O,O-dimethylate</synonym>
    <synonym>O-(2,2-Dichlorvinyl)-O,O-dimethylphosphate</synonym>
    <synonym>O,O-Dimethyl 2,2-dichlorovinyl ate</synonym>
    <synonym>O,O-Dimethyl 2,2-dichlorovinyl phosphate</synonym>
    <synonym>O,O-Dimethyl dichlorovinyl ate</synonym>
    <synonym>O,O-dimethyl dichlorovinyl phosphate</synonym>
    <synonym>Orate, 2,2-dichloroethenyl dimethyl ester</synonym>
    <synonym>Orate, 2,2-dichlorovinyl dimethyl ester</synonym>
    <synonym>Oric acid 2,2-dichloroethenyl dimethyl ester</synonym>
    <synonym>Oric acid 2,2-dichlorovinyl dimethyl ester</synonym>
    <synonym>oric acid, 2,2-Dichloroethenyl dimethyl ester</synonym>
    <synonym>oric acid, 2,2-Dichlorovinyl dimethyl ester</synonym>
    <synonym>Panaplate</synonym>
    <synonym>Phosphoric acid 2,2-dichloroethenyl dimethyl ester</synonym>
    <synonym>Phosphoric acid 2,2-dichlorovinyl dimethyl ester</synonym>
    <synonym>Phosvit</synonym>
    <synonym>Tetravos</synonym>
    <synonym>Topanol</synonym>
    <synonym>Unifos</synonym>
    <synonym>Unitox</synonym>
    <synonym>Vapona</synonym>
    <synonym>Verdican</synonym>
    <synonym>Verdipor</synonym>
    <synonym>Verdisol</synonym>
  </synonyms>
  <chemical_formula>C4H7Cl2O4P</chemical_formula>
  <average_molecular_weight>220.976</average_molecular_weight>
  <monisotopic_moleculate_weight>219.945900638</monisotopic_moleculate_weight>
  <iupac_name>2,2-dichloroethenyl dimethyl phosphate</iupac_name>
  <traditional_iupac>dichlorvos</traditional_iupac>
  <cas_registry_number>62-73-7</cas_registry_number>
  <smiles>COP(=O)(OC)OC=C(Cl)Cl</smiles>
  <inchi>InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3</inchi>
  <inchikey>OEBRKCOSUFCWJD-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.</description>
    <direct_parent>Dialkyl phosphates</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Organic phosphoric acids and derivatives</class>
    <sub_class>Phosphate esters</sub_class>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Chloroalkenes</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organochlorides</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Vinyl chlorides</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Chloroalkene</substituent>
      <substituent>Dialkyl phosphate</substituent>
      <substituent>Haloalkene</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organochloride</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Vinyl chloride</substituent>
      <substituent>Vinyl halide</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>Organophosphorus insecticides</external_descriptor>
      <external_descriptor>a small molecule</external_descriptor>
      <external_descriptor>alkenyl phosphate</external_descriptor>
      <external_descriptor>dialkyl phosphate</external_descriptor>
      <external_descriptor>organochlorine acaricide</external_descriptor>
      <external_descriptor>organophosphate insecticide</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state>Liquid</state>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.27</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.35</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>9.77e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>-60 oC</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>1.37</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-9.1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>2,2-dichloroethenyl dimethyl phosphate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>220.976</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>219.945900638</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>COP(=O)(OC)OC=C(Cl)Cl</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C4H7Cl2O4P</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>OEBRKCOSUFCWJD-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>44.76</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>52.19</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>16.82</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::EiMs</type>
      <spectrum_id>173</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>21213</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>29692</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>101466</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>135751</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>143485</spectrum_id>
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      <type>Specdb::MsMs</type>
      <spectrum_id>96054</spectrum_id>
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  </spectra>
  <hmdb_id>HMDB33956</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>34690</chebi_id>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce32c9e630&gt;</reference>
    <reference>#&lt;Reference:0x000055ce32c9e478&gt;</reference>
    <reference>#&lt;Reference:0x000055ce32c9e2c0&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
