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Benzene, 1-isocyanato-4-nitro-


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

Benzene, 1-isocyanato-4-nitro- + 1-Butanamine, N-butyl- = C15H23N3O3

By formula: C7H4N2O3 + C8H19N = C15H23N3O3

Quantity Value Units Method Reference Comment
Deltar-113.6 ± 0.7kJ/molCmKiselev, Malkov, et al., 1989liquid phase; solvent: Dioxane; #TDE

Benzene, 1-isocyanato-4-nitro- + Aniline = N-(4-Nitrophenyl)-N'-phenyl-urea

By formula: C7H4N2O3 + C6H7N = C13H11N3O3

Quantity Value Units Method Reference Comment
Deltar-83.8 ± 0.3kJ/molCmKiselev, Malkov, et al., 1989liquid phase; solvent: Dioxane; #TDE

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin CITRUS EXPERIMENT STATION, UNIVERSITY OF FLORIDA (G. EDWARDS)
Source reference COBLENTZ NO. 3613
Date Not specified, most likely prior to 1970
Name(s) 1-isocyanato-4-nitrobenzene
State SOLID (1.9 mg / 100 mg KBr PELLET)
Instrument Not specified, most likely a grating spectrometer.
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin MUS174 A. Mujsce, AT&T Bell Labs., Murray Hill, N.J., USA
NIST MS number 115702

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes

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

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]


Notes

Go To: Top, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References