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62-73-7 molecular structure
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2,2-dichloroethenyl dimethyl phosphate

ChemBase ID: 53483
Molecular Formular: C4H7Cl2O4P
Molecular Mass: 220.975741
Monoisotopic Mass: 219.94590069
SMILES and InChIs

SMILES:
P(=O)(OC=C(Cl)Cl)(OC)OC
Canonical SMILES:
COP(=O)(OC=C(Cl)Cl)OC
InChI:
InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
InChIKey:
OEBRKCOSUFCWJD-UHFFFAOYSA-N

Cite this record

CBID:53483 http://www.chembase.cn/molecule-53483.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-dichloroethenyl dimethyl phosphate
IUPAC Traditional name
dichlorvos
Synonyms
Phosphoric Acid 2,2-Dichloroethenyl Dimethyl Ester
Dichlorophos
DDVP
SD-1750
Task
Vapona
O,O-DIMETHYL-O(2,2-DICHLOROVINYL) PHOSPHATE
Dichlorvos
2,2-Dichlorovinyl dimethyl phosphate
Dichlorvos
敌敌畏
CAS Number
62-73-7
EC Number
200-547-7
MDL Number
MFCD00036123
Beilstein Number
1709141
PubChem SID
24868911
162058246
PubChem CID
3039
CHEBI ID
34690
ATC CODE
QP53AF04
QP52AB03
CHEMBL
167911
Chemspider ID
2931
KEGG ID
D03791
Unique Ingredient Identifier
7U370BPS14
Wikipedia Title
Dichlorvos

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3727812  LogD (pH = 7.4) 1.3727812 
Log P 1.3727812  Molar Refractivity 52.1906 cm3
Polarizability 17.309961 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Colorless to Pale Yellow Oil expand Show data source
Boiling Point
140°C expand Show data source
Flash Point
100 °C expand Show data source
212 °F expand Show data source
Density
1.415 g/ml expand Show data source
Storage Condition
Refrigerator, Under Inert Atmosphere expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
TC0350000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
24-26-28-43-50 expand Show data source
R:24/25 expand Show data source
Safety Statements
28-36/37-45-61 expand Show data source
S:23-45-36/37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300 +H310 + H330-H317-H400 expand Show data source
GHS Precautionary statements
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 2 expand Show data source
Storage Temperature
-20°C expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C4H7Cl2O4P expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 45441 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - D435950 external link
Cholinesterase inhibitor. Anthelmintic, insecticide.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Gaines, T.B., et al.: Toxicol. Appl. Pharmacol., 14, 515 (1969)
  • • Reuber, M.D., et al.: Clin. Toxicol., 18, 47 (1969)
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PATENTS

PATENTS

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INTERNET

INTERNET

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