Benzene, 1-isocyanato-3-(trifluoromethyl)-

• Formula: C₈H₄F₃NO
• Molecular weight: 187.1187
• IUPAC Standard InChI: InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H Copy

  
• IUPAC Standard InChIKey: SXJYSIBLFGQAND-UHFFFAOYSA-N Copy
• CAS Registry Number: 329-01-1
• 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: Isocyanic acid, α,α,α-trifluoro-m-tolyl ester; m-(Trifluoromethyl)phenyl isocyanate; 3-(Trifluoromethyl)phenyl isocyanate; α,α,α-Trifluoro-m-tolyl isocyanate; α,α,α-Trifluoro-3-tolyl isocyanate; α,α,α-Trifluoro-meta-tolylisocyanate; Isocyanic acid m-trifluoromethylphenyl ester
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• Information on this page:
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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Reaction 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

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Individual Reactions

=  + 

By formula: C₁₀H₁₁F₃N₂O = C₂H₇N + C₈H₄F₃NO

=  + 

By formula: C₁₅H₁₀F₆N₂O = C₈H₄F₃NO + C₇H₆F₃N

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.

Chimishkyan, Svetlova, et al., 1984
Chimishkyan, A.L.; Svetlova, L.P.; Leonova, T.V.; Gluyaev, N.D., Thermal decomposition of substituted ureas, J. Gen. Chem. USSR, 1984, 54, 1317-1320. [all data]

Notes

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• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions

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