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
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • UV/Visible spectrum
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Condensed phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C_2ν     Symmetry Number σ = 2

Source: Shimanouchi, 1972

Notes

References

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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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