Benzene, 1-isocyanato-4-methyl-

• Formula: C₈H₇NO
• Molecular weight: 133.1473
• IUPAC Standard InChI: InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3 Copy

  
• IUPAC Standard InChIKey: MGYGFNQQGAQEON-UHFFFAOYSA-N Copy
• CAS Registry Number: 622-58-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Isocyanic acid, p-tolyl ester; p-Methylphenyl isocyanate; p-Tolyl isocyanate; 1-Isocyanato-4-methylbenzene; 4-Isocyanatotoluene; 4-Methylphenyl isocyanate; 4-Tolyl isocyanate; p-Isocyanatotoluene; p-Toluene isocyanate; 4-Isocyanato-1-methylbenzene
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
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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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

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.

Neijzen and DeLange, 1980
Neijzen, B.J.M.; DeLange, C.A., Photoelectron spectroscopy of some thiocyanates, isocyanates and isothiocyanates, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 179. [all data]

Notes

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