Benzene, isocyanato-

• Formula: C₇H₅NO
• Molecular weight: 119.1207
• IUPAC Standard InChI: InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H Copy

  
• IUPAC Standard InChIKey: DGTNSSLYPYDJGL-UHFFFAOYSA-N Copy
• CAS Registry Number: 103-71-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Isocyanic acid, phenyl ester; Carbanil; Isocyanatobenzene; Mondur P; Phenyl carbonimide; Phenyl isocyanate; Phenylcarbimide; Fenylisokyanat; Karbanil; UN 2487; Phenyl ester of isocyanic acid; Additive TI; NSC 74454
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• Information on this page:
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

3 =

By formula: 3C₇H₅NO = C₂₁H₁₅N₃O₃

 +  =

By formula: C₇H₅NO + C₄H₁₀O = C₁₁H₁₅NO₂

 +  =

By formula: C₇H₅NO + C₈H₁₉N = C₁₅H₂₄N₂O

 +  =

By formula: C₇H₅NO + C₆H₇N = C₁₃H₁₂N₂O

=  + 

By formula: C₁₃H₁₂N₂O = C₇H₅NO + C₆H₇N

= 3

By formula: C₂₁H₁₅N₃O₃ = 3C₇H₅NO

=  + 

By formula: C₉H₁₂N₂O = C₇H₅NO + C₂H₇N

 +  =

By formula: C₇H₅NO + C₆H₇N = C₁₃H₁₂N₂O

 +  =

By formula: C₇H₅NO + C₇H₉N = C₁₄H₁₄N₂O

 +  =

By formula: C₇H₅NO + C₄H₁₁N = C₁₁H₁₆NO₂

 +  =

By formula: C₇H₅NO + C₉H₁₀O₂ = C₁₆H₁₅NO₃

References

Go To: Top, Reaction thermochemistry data, Notes

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

Bonetskaya, Kravchenko, et al., 1985
Bonetskaya, A.K.; Kravchenko, M.A.; Frenkel, Ts.M.; Pankratov, V.A.; Vinogradova, S.V.; Korshak, V.V., Kinetics and heat of cyclotrimerization of aryl and alkyl isocyanates, Vysokomol. Soedin., Ser. A, 1985, 27, 1269-1273. [all data]

Bykova, Lebedev, et al., 1985
Bykova, T.A.; Lebedev, B.V.; Kiparisova, E.G.; Tarasov, E.N.; Frenkel, Ts.M.; Pankratov, V.A.; Vinogradova, S.V.; Korshank, V.V., Thermodynamics of phenyl isocyanate, the process of its cyclotrimerization, and the triphenyl isocyanurate that is formed, in the 0-330°K interval, J. Gen. Chem. USSR, 1985, 55, 2303-2308. [all data]

Pannone and Macosko, 1987
Pannone, M.C.; Macosko, C.W., Kinetics of isocyanate amine reactions, J. Appl. Polym. Sci., 1987, 34, 2409-2432. [all data]

Lovering and Laidler, 1962
Lovering, E.G.; Laidler, K.J., Thermochemical studies of some alcohol-isocyanate reactions, Can. J. Chem., 1962, 40, 26-30. [all data]

Kiselev, Malkov, et al., 1989
Kiselev, V.D.; Malkov, V.B.; Murzin, D.G.; Shakirov, I.M.; Konovalov, A.I., Thermochemical study of the reaction of isocyanate with amines, Dokl. Phys. Chem. (Engl. Transl.), 1989, 308, 711-713, In original 111. [all data]

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]

Lebedev, Bykova, et al., 1988
Lebedev, B.V.; Bykova, T.A.; Kiparisova, E.G.; Frenkel, Ts.M.; Fainleib, A.M.; Pankratov, V.A., Thermodynamics of phenyl glycidyl ether and its reactions with diphenylcarbodiimide and phenyl isocyanate with the formation of iminooxazolidine and oxazolidinone in the 0-330 K range, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1988, 1082-10. [all data]

Notes

Go To: Top, Reaction thermochemistry data, References

• 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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