1H-Pyrrole-2-carboxaldehyde

• Formula: C₅H₅NO
• Molecular weight: 95.0993
• IUPAC Standard InChI: InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H Copy

  
• IUPAC Standard InChIKey: ZSKGQVFRTSEPJT-UHFFFAOYSA-N Copy
• CAS Registry Number: 1003-29-8
• 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: Pyrrole-2-carboxaldehyde; Pyrrole-2-aldehyde; 2-Formylpyrrole; 2-Pyrrolylcarboxaldehyde; α-Pyrrolaldehyde; 2-Pyrrolecarbaldehyde; 2-Pyrrolecarboxaldehyde; 1H-Pyrrole-2-carboxyaldehyde; 2-Carboxaldehyde-1H-pyrrole; 2-Pyrrolaldehyde; 2-Pyrrolcarbaldehyde; NSC 112885; NSC 66394; 1H-Pyrrole-2-carbaldehyde; 129006-63-9; 1-Pyrrole-2-carboxaldehyde; 1( H)-pyrrole carboxaldehyde; Pyrrol-2-carboxaldehyde; pyrrole-2-carbaldehyde
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Condensed phase 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

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: Robert L. Brown and Stephen E. Stein

Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

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

UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

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.

Stern and Klebs, 1933
Stern, A.; Klebs, G., Calorimetrische bestimmungen bei mehrkernigen pyrrolderivaten. IV. 1. Experimentelle daten fur einige porphyrine, chlorine, phaophorbide and purpurine, Ann. Chim., 1933, 505, 295-306. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S., A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization, J. Chem. Soc. B, 1971, 1585. [all data]

Matsuo and Shosenji, 1972
Matsuo, T.; Shosenji, H., Bull. Chem. Soc. Japan, 1972, 45, 1349. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions

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