Thiophosgene

• Formula: CCl₂S
• Molecular weight: 114.982
• IUPAC Standard InChI: InChI=1S/CCl2S/c2-1(3)4 Copy

  
• IUPAC Standard InChIKey: ZWZVWGITAAIFPS-UHFFFAOYSA-N Copy
• CAS Registry Number: 463-71-8
• 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: Carbonothioic dichloride; Carbon chlorosulfide; Carbonic dichloride, thio-; Dichlorothiocarbonyl; Thiocarbonyl chloride; Thiocarbonyl dichloride; CSCl2; Carbonyl chloride, thio-; Phosgene, thio-; Thiocarbonic dichloride; Thiofosgen; Thiokarbonylchlorid; UN 2474; Dichlorothioformaldehyde
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• Information on this page:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • UV/Visible spectrum
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Condensed phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

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, Condensed phase thermochemistry data, Gas phase ion energetics data, 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.

Raskina, Suvorov, et al., 1972
Raskina, A.D.; Suvorov, B.A.; Zetkin, V.I.; Kolesnikov, I.M.; Zakharov, E.V., Calculation of thermodynamic data for reactions of carbon disulfide chlorination, J. Appl. Chem. USSR, 1972, 45, 683-685. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Mines, Thomas, et al., 1973
Mines, G.W.; Thomas, R.K.; Thompson, H., The photoelectron spectra of thiocarbonyl fluoride and thiocarbonyl chloride, Proc. R. Soc. London A:, 1973, 333, 171. [all data]

Chadwick, 1972
Chadwick, D., Photoelectron spectra of phosgene and thiophosgene, Can. J. Chem., 1972, 50, 737. [all data]

Wittel, Hass, et al., 1972
Wittel, K.; Hass, A.; Bock, H., Photoelektronenspektren und molekuleigenschaften, XVI. Thiocarbonylhalogenide-orbitale und ladungen, Chem. Ber., 1972, 105, 3865. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  ΔfH°liquid

  Enthalpy of formation of liquid at standard conditions

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