2-Propenenitrile, 2-chloro-

• Formula: C₃H₂ClN
• Molecular weight: 87.508
• IUPAC Standard InChI: InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2 Copy

  
• IUPAC Standard InChIKey: OYUNTGBISCIYPW-UHFFFAOYSA-N Copy
• CAS Registry Number: 920-37-6
• Chemical structure:
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• Other names: Acrylonitrile, 2-chloro-; α-Chloroacrylonitrile; Chloroacrylonitrile; 2-Chloroacrylonitrile; Alpha-chloro acrylonitrile; Propenenitrile, 2-chloro-
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• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
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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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• LIQUID; PERKIN-ELMER (GRATING); DIGITIZED BY NIST FROM HARD COPY; 4 cm^-1 resolution
• LIQUID (NEAT); PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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.

Ichihashi, Hirokawa, et al., 1995
Ichihashi, M.; Hirokawa, J.; Tsukuda, T.; Kondow, T.; Dessent, C.E.H.; Bailey, C.G.; Scarton, M.G., Characterization of the 2-chloroacrylonitrile negative ion using photoelectron and photofragmentation spectroscopies, J. Phys. Chem., 1995, 99, 6, 1655, https://doi.org/10.1021/j100006a006 . [all data]

Houk and Munchausen, 1976
Houk, K.N.; Munchausen, L.L., Ionization potentials, electron affinities, reactivities of cyanoalkenes related electron-deficient alkenes. A frontier molecular orbital treatment of cyanoalkene reactivities in cycloaddition, electrophilic, nucleophilic, and radical reactions., J. Am. Chem. Soc., 1976, 98, 937. [all data]

Notes

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• Symbols used in this document:
  

  EA	Electron affinity

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