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)
  • UV/Visible spectrum
  • Gas Chromatography
  • References
  • Notes
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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

UV/Visible spectrum

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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

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), UV/Visible spectrum, 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]

Hirt and Gisclard, 1951
Hirt, R.C.; Gisclard, J.B., Determination of parathion in air samples by ultraviolet absorption spectroscopy, Anal. Chem., 1951, 23, 1, 185-187. [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), UV/Visible spectrum, 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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