Dicapthon

• Formula: C₈H₉ClNO₅PS
• Molecular weight: 297.653
• IUPAC Standard InChI: InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-8-4-3-6(10(11)12)5-7(8)9/h3-5H,1-2H3 Copy

  
• IUPAC Standard InChIKey: OTKXWJHPGBRXCR-UHFFFAOYSA-N Copy
• CAS Registry Number: 2463-84-5
• 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-(2-chloro-4-nitrophenyl) O,O-dimethyl ester; p-Nitro-o-chlorophenyl dimethyl thionophosphate; American Cyanamid 4124; BAY 14981; Dicaptan; Dicapthion; Dicapton; Experimental Insecticide 4124; ENT 17,035; Insecticide ACC 4124; Isochlorothion; Isochlorthion; Isomeric Chlorthion; OMS-214; AC 4124; American cyanamid 4,124; BAYER 22/190; Captec; O-(4-Chloor-3-nitro-fenyl)-O,O-dimethylmonothiofosfaat; O-(4-Chlor-3-nitro-phenyl)-O,O-dimethyl-monothiophosphat; O-(4-Cloro-3-nitro-fenil)-O,O-dimetil-monotiofosfato; O-(2-Chloro-4-nitrophenyl) O,O-dimethyl phosphorothioate; O,O-Dimethyl O-2-chloro-4-nitrophenyl phosphorothioate; O,O-Dimethyl-O-(2-chloro-4-nitrophenyl)thionophosphate; Dimethyl 2-chloronitrophenyl thiophosphate; Isochloorthion; Phenol, 2-chloro-4-nitro-, O-ester with O,O-dimethyl phosphorothioate; Thiophosphate de O,O-dimethyle et de O-4-chloro-3-nitrophenyle
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• Information on this page:
  • Phase change data
  • Henry's Law data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • 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 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 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

Gas Phase Spectrum

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Additional Data

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

References

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

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

Plato, 1972
Plato, C., DSC as a general method for determining purity and heat of fusion of high-purity organic chemicals, Anal. Chem., 1972, 44, 1531. [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]

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, Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Notes

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

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