Benzene, 1,2-dichloro-4-isocyanato-

• Formula: C₇H₃Cl₂NO
• Molecular weight: 188.011
• IUPAC Standard InChI: InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H Copy

  
• IUPAC Standard InChIKey: MFUVCHZWGSJKEQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 102-36-3
• Chemical structure:
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• Other names: 3,4-Dichlorophenyl isocyanate; Isocyanic acid, 3,4-dichlorophenyl ester; 3,4-Dichlorfenylisokyanat; 3,4-Dichlorphenyl isocyanate
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
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Phase change 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:
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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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: C₉H₁₀Cl₂N₂O = C₇H₃Cl₂NO + C₂H₇N

=  + 

By formula: C₁₃H₈Cl₄N₂O = C₇H₃Cl₂NO + C₆H₅Cl₂N

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.

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Konstantinov, zhuravlev, et al., 1967
Konstantinov, I.I.; zhuravlev, E.Z.; Tenrova, Z.G., Some Physico-Chemical Properties of n-Chlorophenyl Isocyanate and 3,4-Dichlorophenylisocyanate, Zh. Prikl. Khim. (Moscow), 1967, 40, 1084-1087. [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]

Notes

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• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization

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