Parathion

• Formula: C₁₀H₁₄NO₅PS
• Molecular weight: 291.261
• IUPAC Standard InChI: InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: LCCNCVORNKJIRZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 56-38-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester; Phosphorothioic acid, O,O-diethyl O-(p-nitrophenyl) ester; Alkron; Alleron; American Cyanamid 3422; Aphamite; Aralo; AAT; AATP; Bayer E-605; Bladan F; Diethyl p-Nitrophenyl phosphorothionate; Diethyl p-nitrophenyl thionophosphate; Diethyl parathion; Diethyl 4-nitrophenyl phosphorothionate; DNTP; E 605; E 605F; Ekatox; Ethyl Parathion; Etilon; ENT 15108; Folidol; Folidol Oil; Folidol E; Folidol E-605; Fosferno; Fostox; Gearphos; Lirothion; Niran; Nitrostigmine; Nourithion; NIUIF 100; O,O-Diethyl O-(p-Nitrophenyl) phosphorothioate; O,O-Diethyl O-(p-nitrophenyl) thiophosphate; Oleofos 20; Oleoparaphene; Oleoparathion; Pacol; Paramar 50; Paraphos; Parathion-ethyl; Penncap E; Rhodiasol; Rhodiatox; RB; Super Rodiatox; SNP; Thiophos; Thiophos 3422; Vitrex; AC 3422; B 404; Bladan; BAY E-605; Compound 3422; Corothion; Corthione; Danthion; Diethyl p-nitrophenyl thiophosphate; DPP; Ecatox; Etylparation; Fosfex; Fosfive; Fosova; Fostern; Genithion; Kolphos; Kypthion; Lethalaire G-54; Murfos; NCI-C00226; O,O-diaethyl-O-(4-nitro-phenyl)-monothiophosphat; O,O-diethyl-O-(4-nitro-fenil)monothiofosfaat; O,O-Diethyl O-(p-nitrophenyl) thionophosphate; O,O-Diethyl O-(4-nitrophenyl) thiophosphate; O,O-Diethyl-O-p-nitrofenylester kyseliny thiofosforecne; O,O-Dietil-O-(4-nitro-fenil)-monotiofosfato; Orthophos; PAC; Panthion; Paramar; Parathene; Parawet; Pestox plus; Pethion; Phoskil; Phosphemol; Phosphenol; Phosphostigmine; Stabilized ethyl parathion; Stathion; Strathion; Sulphos; T-47; Thiophosphate de O,O-diethyle et de O-(4-nitrophenyle); Tiofos; TOX 47; Vapophos; ACC 3422; Corthion; Diethyl para-nitrophenol thiophosphate; Drexel parathion 8E; E 605 FORTE; Ethlon; Folidol E & E 605; Fosfermo; NA 2783; Niran E-4; Nitrostigmin; Nitrostygmine; OMS 19; Paradust; Parathion-aethyl; Parathion mixture; Phenol, p-nitro-, O-ester with O,O-diethylphosphorothioate; Rcra waste number P089; Rhodiatrox; Selephos; Sixty-three special E.C. insecticide; Soprathion; Thiofos; Thiomex; Murphos; O,O-Diethyl-O-(4-nitrophenyl) phosphorothioate; S.N.P.; Diethyl 4-nitrophenyl phosphorothioate; Ecatox 20; Galpar; Oleoparathene; Parathion A; ENT 15,108; Thiophos Parathion 4 E.C.; Kwell; Isotox; Jacutin; Kokotine; Vitrex HGI; Diethoxy, nitro-phenoxy phosphorothioate; Rodiatox; Ethyle-parathion; O,O-diethyl O-4-nitrophenyl phosphorothioate (parathion)
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• Information on this page:
  • Phase change data
  • Henry's Law data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • UV/Visible spectrum
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

Enthalpy of fusion

Henry's Law data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-450 CM^-1); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas; HP-GC/MS/IRD

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, non-polar column, custom temperature program

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Plato and Glasgow, 1969
Plato, C.; Glasgow, A.R., Jr., Differential scanning calorimetry as a general method for determining the purity and heat of fusion of high-purity organic chemicals. Application to 95 compounds, Anal. Chem., 1969, 41, 2, 330, https://doi.org/10.1021/ac60271a041 . [all data]

Spencer, Shoup, et al., 1979
Spencer, William F.; Shoup, Thomas D.; Cliath, Mark M.; Farmer, Walter J.; Haque, Rizwanul, Vapor pressures and relative volatility of ethyl and methyl parathion, J. Agric. Food Chem., 1979, 27, 2, 273-278, https://doi.org/10.1021/jf60222a016 . [all data]

Spencer and Cliath, 1983
Spencer, W.F.; Cliath, M.M., Measurement of pesticide vapor pressures, 1983, 57-71, https://doi.org/10.1007/978-1-4612-5462-1₆ . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Donnelly, Drewes, et al., 1990, 2
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Erdmann, Rochholz, et al., 1992
Erdmann, F.; Rochholz, G.; Schütz, H., Retention-indices on OV-1 of approximately 170 commonly used pesticides, Mikrochim. Acta, 1992, 106, 3-6, 219-226, https://doi.org/10.1007/BF01242093 . [all data]

Lora-Tamayo, Rams, et al., 1986
Lora-Tamayo, C.; Rams, M.A.; Chacon, J.M.R., Gas Chromatographic Data for 187 Nitrogen- or Phosphorus-Containing Drugs and Metabolites of Toxicological Interest Analysed on Methyl Silicone Capillary Columns, J. Chromatogr., 1986, 374, 73-85, https://doi.org/10.1016/S0378-4347(00)83254-5 . [all data]

Hall, Whitehead, et al., 1986
Hall, G.L.; Whitehead, W.E.; Mourer, C.R.; Shibamoto, T., A new gas chromatographic retention index for pesticides and related compounds, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 5, 266-271, https://doi.org/10.1002/jhrc.1240090503 . [all data]

Schepers, Wijsbeek, et al., 1982
Schepers, P.; Wijsbeek, J.; Franke, J.P.; de Zeeuw, R.A., Applicability of capillary gas chromatography to substance identification in toxicology by means of retention indices, J. Forensic Sci., 1982, 27, 1, 49-60. [all data]

Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C., Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses, J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1 . [all data]

Hankemeier, Rozenbrand, et al., 1998
Hankemeier, Th.; Rozenbrand, J.; Abhadur, M.; Vreuls, J.J.; Brinkman, U.A.Th., Data Correlation in On-Line Solid-Phase Extraction - Gas Chromatography - Atomic Emission / Mass Spectrometric Detection of Unknown Microcontaminants, Chromatographia, 1998, 48, 3/4, 273-283, https://doi.org/10.1007/BF02467683 . [all data]

Aderjan and Bogusz, 1988
Aderjan, R.; Bogusz, M., Nitroalkanes as a multidetector retention index scale for drug identification in gas chromatography, J. Chromatogr., 1988, 454, 345-351, https://doi.org/10.1016/S0021-9673(00)88629-X . [all data]

TSunoda, 1986
TSunoda, N., Simultaneous determination of organophosphorous pesticides in forencis chemistry by gas-liquid chromatography with hydrogen flame ionization detector, Eisei Kagaku, 1986, 32, 2, 91-100, https://doi.org/10.1248/jhs1956.32.91 . [all data]

Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F., Use of the retention index in gas chromatographic studies of drugs, J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185 . [all data]

Department of Food Safety and Welfare, 2006
Department of Food Safety, Ministry of Health; Welfare, Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006, retrieved from http://www.mhlw.go.jp/english/topics/foodsafety/positivelist060228/de/060526-1a.pdf. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Tameo and Kiyos, 1991
Tameo, O.; Kiyos, I., Simultaneous determination of pesticides by capillary gas chromatography, Cannot be traslated (in Japan), 1991, 14, 2, 109-122. [all data]

Notes

Go To: Top, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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