3-Methyl-4-nitrobenzoic acid

• Formula: C₈H₇NO₄
• Molecular weight: 181.1455
• IUPAC Standard InChI: InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11) Copy

  
• IUPAC Standard InChIKey: XDTTUTIFWDAMIX-UHFFFAOYSA-N Copy
• CAS Registry Number: 3113-71-1
• 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: 4-Nitro-m-toluic acid; Benzoic acid, 3-methyl-4-nitro-; m-Toluic acid, 4-nitro-
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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

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

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

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

Monte and Hillesheim, 2001
Monte, Manuel J.S.; Hillesheim, Dorothea M., Thermodynamic study on the sublimation of six methylnitrobenzoic acids, The Journal of Chemical Thermodynamics, 2001, 33, 1, 103-112, https://doi.org/10.1006/jcht.2000.0729 . [all data]

Notes

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  ΔsubH°

  Enthalpy of sublimation at standard conditions

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