Benzene, isothiocyanato-

• Formula: C₇H₅NS
• Molecular weight: 135.186
• IUPAC Standard InChI: InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H Copy

  
• IUPAC Standard InChIKey: QKFJKGMPGYROCL-UHFFFAOYSA-N Copy
• CAS Registry Number: 103-72-0
• 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: Isothiocyanic acid, phenyl ester; Isothiocyanatobenzene; Phenyl isothiocyanate; Phenyl mustard oil; Phenyl thioisocyanate; Thiocarbanil; Benzene-1-isothiocyanate; Phenylsenfoel; USAF M-4; Fenylisothiokyanat; PITC; NSC 5583
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
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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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

References

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

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Kobayashi and Nagakura, 1975
Kobayashi, T.; Nagakura, S., Photoelectron spectra of phenyl isocyanates and phenyl isothio- cyanate, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 488. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

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