Record Information
Version1.0
Creation date2010-04-08 22:10:02 UTC
Update date2018-05-29 00:56:28 UTC
Primary IDFDB012175
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameDichlorvos
DescriptionIt 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.
CAS Number62-73-7
Structure
Thumb
Synonyms
SynonymSource
2,2-Dichloroethenyl dimethyl phosphateChEBI
DDVPChEBI
Dimethyl 2,2-dichlorovinyl phosphateChEBI
Dimethyl-2,2-dichlorovinyl phosphateChEBI
Phosphoric acid, 2,2-dichloroethenyl dimethyl esterChEBI
Phosphoric acid, 2,2-dichlorovinyl dimethyl esterChEBI
AtgardKegg
2,2-Dichloroethenyl dimethyl phosphoric acidGenerator
Dimethyl 2,2-dichlorovinyl phosphoric acidGenerator
Dimethyl-2,2-dichlorovinyl phosphoric acidGenerator
Phosphate, 2,2-dichloroethenyl dimethyl esterGenerator
Phosphate, 2,2-dichlorovinyl dimethyl esterGenerator
2,2-Dichloroethenol dimethyl phosphateHMDB
2,2-Dichloroethenyl phosphoric acid dimethyl esterHMDB
2,2-Dichlorovinyl alcohol dimethyl phosphateHMDB
2,2-Dichlorovinyl dimethyl phosphate, 8ciHMDB
2,2-Dichlorovinyl dimethyl phosphoric acid esterHMDB
2,2-Dichlorovinyl-O,O-dimethyl phosphateHMDB
2,2-Dimethyldichlorovinyl phosphateHMDB
AlgardHMDB
ApavapHMDB
AquaguardHMDB
AstrobotHMDB
BenfosHMDB
BibesolHMDB
BrevinylHMDB
CanogardHMDB
CekusanHMDB
ChlorvinphosHMDB
CyanophosHMDB
CyponaHMDB
DDVP (Insecticide)HMDB
Dichloroethenyl dimethyl phosphateHMDB
DichlorophosHMDB
DiclorvosHMDB
Dimethyl 2,2-dichloroethenyl phosphateHMDB
Dimethyl dichlorovinyl phosphateHMDB
Dimethyl O,O-dichlorovinyl-2,2-phosphateHMDB
Dimethyldichlorovinyl phosphateHMDB
DivipanHMDB
DuravosHMDB
EquigandHMDB
EquigardHMDB
EquigelHMDB
EquiguardHMDB
Ethenol, 2,2-dichloro-, dimethyl phosphateHMDB
FecamaHMDB
HerkalHMDB
HerkolHMDB
Insectigas DHMDB
KrecalvinHMDB
LindanHMDB
LindanmafuHMDB
NerkolHMDB
NogosHMDB
NovotoxHMDB
NSC 6738HMDB
NuvanHMDB
O,O-Dimethyl 2,2-dichlorovinyl phosphateHMDB
O,O-Dimethyl dichlorovinyl phosphateHMDB
O-(2,2-Dichloroethenyl) O,O-dimethyl phosphate, 9ciHMDB
O-(2,2-Dichlorvinyl)-O,O-dimethylphosphateHMDB
PanaplateHMDB
Phosphoric acid 2,2-dichloroethenyl dimethyl esterHMDB
Phosphoric acid 2,2-dichlorovinyl dimethyl esterHMDB
PhosvitHMDB
TetravosHMDB
TopanolHMDB
UnifosHMDB
UnitoxHMDB
VaponaHMDB
VerdicanHMDB
VerdiporHMDB
VerdisolHMDB
Phosphoric acid 2,2 dichloroethenyl dimethyl esterHMDB
DichlofosHMDB
2,2-Dichloroethenol dimethyl ateHMDB
2,2-Dichloroethenyl dimethyl ateChEBI
2,2-Dichloroethenyl dimethyl ic acidGenerator
2,2-Dichloroethenyl oric acid dimethyl esterHMDB
2,2-Dichlorovinyl alcohol dimethyl ateHMDB
2,2-Dichlorovinyl dimethyl ate, 8ciHMDB
2,2-Dichlorovinyl dimethyl oric acid esterHMDB
2,2-Dichlorovinyl dimethyl phosphate, 8CIdb_source
2,2-Dichlorovinyl-O,O-dimethyl ateHMDB
2,2-Dimethyldichlorovinyl ateHMDB
Atgard (TN)biospider
DDVP (insecticide)biospider
Dichloroethenyl dimethyl ateHMDB
Dimethyl 2,2-dichloroethenyl ateHMDB
Dimethyl 2,2-dichlorovinyl ateChEBI
Dimethyl 2,2-dichlorovinyl ic acidGenerator
Dimethyl dichlorovinyl ateHMDB
Dimethyl O,O-dichlorovinyl-2,2-ateHMDB
Dimethyl-2,2-dichlorovinyl ateChEBI
Dimethyl-2,2-dichlorovinyl ic acidGenerator
Dimethyldichlorovinyl ateHMDB
Ethenol, 2,2-dichloro-, dimethyl ateHMDB
O-(2,2-Dichloroethenyl) O,O-dimethyl ate, 9ciHMDB
O-(2,2-Dichloroethenyl) O,O-dimethyl phosphate, 9CIdb_source
O-(2,2-Dichlorvinyl)-O,O-dimethylateHMDB
O,O-Dimethyl 2,2-dichlorovinyl ateHMDB
O,O-Dimethyl dichlorovinyl ateHMDB
O,O-dimethyl dichlorovinyl phosphatebiospider
Orate, 2,2-dichloroethenyl dimethyl esterGenerator
Orate, 2,2-dichlorovinyl dimethyl esterGenerator
Oric acid 2,2-dichloroethenyl dimethyl esterHMDB
Oric acid 2,2-dichlorovinyl dimethyl esterHMDB
oric acid, 2,2-Dichloroethenyl dimethyl esterChEBI
oric acid, 2,2-Dichlorovinyl dimethyl esterChEBI
Predicted Properties
PropertyValueSource
Water Solubility9.77 g/LALOGPS
logP1.27ALOGPS
logP1.37ChemAxon
logS-1.4ALOGPS
pKa (Strongest Basic)-9.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area44.76 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity52.19 m³·mol⁻¹ChemAxon
Polarizability16.82 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC4H7Cl2O4P
IUPAC name2,2-dichloroethenyl dimethyl phosphate
InChI IdentifierInChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
InChI KeyOEBRKCOSUFCWJD-UHFFFAOYSA-N
Isomeric SMILESCOP(=O)(OC)OC=C(Cl)Cl
Average Molecular Weight220.976
Monoisotopic Molecular Weight219.945900638
Classification
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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentDialkyl phosphates
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Environmental role:

Industrial application:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionC 21.74%; H 3.19%; Cl 32.09%; O 28.96%; P 14.02%DFC
Melting Point-60 oC
Boiling PointBp3 88°DFC
Experimental Water Solubility8 mg/mL at 20 oCUSDA PESTICIDE PROPERTIES DATABASE
Experimental logP1.43HANSCH,C ET AL. (1995)
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd254 1.42DFC
Refractive Indexn20D 1.4550DFC
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0a4i-1900000000-09877a8cb478a3cc6839JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0a4i-1900000000-09877a8cb478a3cc6839JSpectraViewer | MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-00dl-7950000000-d8cdc825bf993c643600JSpectraViewer
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , negativesplash10-001i-0900000000-f98de9faf1be0bb7aa83JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , negativesplash10-001i-0900000000-93c62701332435cee993JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , negativesplash10-001i-0900000000-f922e6ba3c6c6b90775aJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , negativesplash10-001i-1900000000-40a51b0033ce31d71432JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , negativesplash10-001i-1900000000-9ef61f0d99a23257c13dJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , negativesplash10-001i-3900000000-c65f2474371722a3bcc8JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , positivesplash10-00fr-0690000000-26446ccc45ba04ecd6a2JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , positivesplash10-004i-0930000000-5337a3d357153a9b46f2JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , positivesplash10-004i-0900000000-65501644b18b2b26ba71JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , positivesplash10-004i-2900000000-051c8cc88647cdf4959eJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , positivesplash10-004i-4900000000-dccb667225335d52f6d1JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , positivesplash10-004i-6900000000-8c14f2901d28ffb6e55aJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-004i-0900000000-cc2455ee44a59b12a9f4JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-004i-2900000000-c792ae223d6916b397d8JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0a4l-0900000000-ca0ee2a0d7d29061a4c4JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-052f-0900000000-347f95538a81149f9317JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , positivesplash10-004i-0930000000-62f725b3cb5b2d33fd64JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-0090000000-e298d1b1b9fbe49cdf07JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-0290000000-d903963507fb14645616JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01q9-7920000000-49744b7423eca8f5c83dJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0390000000-739bd76ae4f970ffb5ddJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-1970000000-20c951792dc55918ff70JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0fai-4900000000-f04c27c6490895d5cc16JSpectraViewer
MSMass Spectrum (Electron Ionization)splash10-0a4i-7900000000-0efae19e253ed849b729JSpectraViewer | MoNA
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
ChemSpider ID2931
ChEMBL IDCHEMBL167911
KEGG Compound IDC14430
Pubchem Compound ID3039
Pubchem Substance IDNot Available
ChEBI ID34690
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB33956
CRC / DFC (Dictionary of Food Compounds) IDHDX91-E:HDX91-E
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDDichlorvos
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference