2-Thiophenecarboxaldehyde

• Formula: C₅H₄OS
• Molecular weight: 112.150
• IUPAC Standard InChI: InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H Copy

  
• IUPAC Standard InChIKey: CNUDBTRUORMMPA-UHFFFAOYSA-N Copy
• CAS Registry Number: 98-03-3
• 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: α-Formylthiophene; α-Thiophenecarboxaldehyde; 2-Formylthiophene; 2-Thienylaldehyde; 2-Thienylcarboxaldehyde; 2-Thiophenealdehyde; Thiophene-2-carboxaldehyde; Thiophene-2-aldehyde; Thiophene-2-carbaldehyde; 2-Thiophenecarbaldehyde; 2-Thiophenaldehyde; 2-Carboxaldehyde-thiophene; 2-Thiophencarboxaldehyde; 2-Thiophene carboxyaldehyde; 2-Thienaldehyde; NSC 2162; thiophenecarboxaldehyde; 2-thiophenic aldehyde; thiophen-2-carboxaldehyde
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

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 compiled by: Coblentz Society, Inc.

• Not specified, most likely a grating spectrometer.; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

• gas

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.

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]

Ribeiro da Silva and Santos, 2008
Ribeiro da Silva, Manuel A.V.; Santos, Ana Filipa L.O.M., Energetics of thiophenecarboxaldehydes and some of its alkyl derivatives, The Journal of Chemical Thermodynamics, 2008, 40, 6, 917-923, https://doi.org/10.1016/j.jct.2008.02.004 . [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]

Fringuelli, Marino, et al., 1976
Fringuelli, F.; Marino, G.; Taticchi, A.; Distefano, G.; Colonna, F.P.; Pignataro, S., Photoelectron spectra of the α-substituted derivatives of furan, thiophen, selenophen, and tellurophen. A comparative study of the molecular orbital energies, J. Chem. Soc. Perkin Trans. 2, 1976, 276. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, References

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔvapH°	Enthalpy of vaporization at standard conditions

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