Benzeneacetonitrile, 3-nitro-

• Formula: C₈H₆N₂O₂
• Molecular weight: 162.1454
• IUPAC Standard InChI: InChI=1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2 Copy

  
• IUPAC Standard InChIKey: WAVKEPUFQMUGBP-UHFFFAOYSA-N Copy
• CAS Registry Number: 621-50-1
• 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: Acetonitrile, (m-nitrophenyl)-; m-Nitro-phenylacetonitrile; m-Nitrobenzyl cyanide; 3-nitrophenylacetonitrile
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• Information on this page:
  • Reaction thermochemistry data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • 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: John E. Bartmess

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Individual Reactions

C₈H₅N₂O₂^- +  =

By formula: C₈H₅N₂O₂^- + H⁺ = C₈H₆N₂O₂

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

Gas Phase Spectrum

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Additional Data

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.

Taft and Topsom, 1987
Taft, R.W.; Topsom, R.D., The Nature and Analysis of Substituent Effects, Prog. Phys. Org. Chem., 1987, 16, 1. [all data]

Notes

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• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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