Product Name

  • Name

    2-fluoroethyl [(diethoxyphosphorothioyl)sulfanyl](phenyl)acetate

  • EINECS
  • CAS No. 4681-36-1
  • Density 1.264g/cm3
  • Solubility
  • Melting Point
  • Formula C14H20FO4PS2
  • Boiling Point 421.2°Cat760mmHg
  • Molecular Weight 366.43
  • Flash Point 208.6°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion. When heated to decomposition it emits very toxic fumes of F−, POx, and SOx. See also MERCAPTANS and FLUORIDES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 4681-36-1 (2-fluoroethyl [(diethoxyphosphorothioyl)sulfanyl](phenyl)acetate)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Fluoroethyl O,O-diethyldithiophosphoryl-1-phenylacetate Chemical Properties

Product Name: Fluoroethyl O,O-diethyldithiophosphoryl-1-phenylacetate (CAS NO.4681-36-1)


Molecular Formula: C14H20FO4PS2
Molecular Weight: 366.43g/mol
Mol File: 4681-36-1.mol
Boiling point: 421.2 °C at 760 mmHg
Flash Point: 208.6 °C
Density: 1.264 g/cm3
Surface Tension: 47.1 dyne/cm
Enthalpy of Vaporization: 67.52 kJ/mol
Vapour Pressure: 2.65E-07 mmHg at 25°C
XLogP3-AA: 4.4
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of Fluoroethyl O,O-diethyldithiophosphoryl-1-phenylacetate (CAS NO.4681-36-1):
  IUPAC Name: 2-fluoroethyl 2-diethoxyphosphinothioylsulfanyl-2-phenylacetate
  Canonical SMILES: CCOP(=S)(OCC)SC(C1=CC=CC=C1)C(=O)OCCF
  InChI: InChI=1S/C14H20FO4PS2/c1-3-18-20(21,19-4-2)22-13(14(16)17-11-10-15)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3 
  InChIKey: IKSBWMCKMIWLDZ-UHFFFAOYSA-N

Fluoroethyl O,O-diethyldithiophosphoryl-1-phenylacetate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3mg/kg (3mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 140, 1976.
mouse LD50 oral 75mg/kg (75mg/kg)   Bulletin of the Entomological Society of America. Vol. 15, Pg. 119, 1969.
rat LD50 oral 5mg/kg (5mg/kg)   Bulletin of the Entomological Society of America. Vol. 15, Pg. 119, 1969.

Fluoroethyl O,O-diethyldithiophosphoryl-1-phenylacetate Safety Profile

Poison by ingestion. When heated to decomposition it emits very toxic fumes of F−, POx, and SOx. See also MERCAPTANS and FLUORIDES.

Fluoroethyl O,O-diethyldithiophosphoryl-1-phenylacetate Specification

 Fluoroethyl O,O-diethyldithiophosphoryl-1-phenylacetate , its CAS NO. is 4681-36-1, the synonyms is 2-Fluoroethyl mercaptophenylacetate, O,O-diethyl phosphorodithioate ;  M 1788 ; Acetic acid, mercaptophenyl-, 2-fluoroethyl ester, S-ester with O,O-diethyl phosphorodithioate .

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