Benzonitrile, 3-nitro-

• Formula: C₇H₄N₂O₂
• Molecular weight: 148.1189
• IUPAC Standard InChI: InChI=1S/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H Copy

  
• IUPAC Standard InChIKey: RUSAWEHOGCWOPG-UHFFFAOYSA-N Copy
• CAS Registry Number: 619-24-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Benzonitrile, m-nitro-; m-Cyanonitrobenzene; m-Nitrobenzonitrile; 3-Cyanonitrobenzene; 3-Nitrobenzonitrile
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • Ion clustering data
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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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

Enthalpy of fusion

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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

 +  = ( • )

By formula: Br^- + C₇H₄N₂O₂ = (Br^- • C₇H₄N₂O₂)

Free energy of reaction

 +  = ( • )

By formula: NO₂^- + C₇H₄N₂O₂ = (NO₂^- • C₇H₄N₂O₂)

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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Additional Data

References

Go To: Top, Phase change data, Reaction thermochemistry data, 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.

Roux, Jiménez, et al., 2003
Roux, Maria Victoria; Jiménez, Pilar; Dávalos, Juan Z.; Temprado, Manuel; Liebman, Joel F., Destabilization in the isomeric nitrobenzonitriles: an experimental thermochemical study, The Journal of Chemical Thermodynamics, 2003, 35, 5, 803-811, https://doi.org/10.1016/S0021-9614(03)00017-X . [all data]

Ribeiro da Silva, Santos, et al., 2003
Ribeiro da Silva, Maria D.M.C.; Santos, Luis M.N.B.F.; Silva, Ana L.R.; Fernandes, Óscar; Acree, W.E., Energetics of 6-methoxyquinoline and 6-methoxyquinoline N-oxide: the dissociation enthalpy of the (N--O) bond, The Journal of Chemical Thermodynamics, 2003, 35, 7, 1093-1100, https://doi.org/10.1016/S0021-9614(03)00052-1 . [all data]

Jiménez, Roux, et al., 2002
Jiménez, Pilar; Roux, Maria Victoria; Dávalos, Juán Z.; Temprado, Manuel, Heat capacities and enthalpies of transitions of three nitrobenzonitriles, Thermochimica Acta, 2002, 394, 1-2, 25-29, https://doi.org/10.1016/S0040-6031(02)00234-4 . [all data]

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [all data]

Grimsrud, Chowdhury, et al., 1986
Grimsrud, E.P.; Chowdhury, S.; Kebarle, P., Gas Phase Reactions of NO₂^- with Nitrobenzenes and Quinones. Electron Transfer, Clusters, and Formation of Phenoxide and Quinoxide Negative Ions. Use of NO₂ as a NICI Reagent Gas., Int. J. Mass Spectrom. Ion Proc., 1986, 68, 1-2, 57, https://doi.org/10.1016/0168-1176(86)87068-9 . [all data]

Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  T	Temperature
  ΔfusH	Enthalpy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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