Acetophenone, 2-chloro-

• Formula: C₈H₇ClO
• Molecular weight: 154.594
• IUPAC Standard InChI: InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2 Copy

  
• IUPAC Standard InChIKey: IMACFCSSMIZSPP-UHFFFAOYSA-N Copy
• CAS Registry Number: 532-27-4
• Chemical structure:
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• Other names: Tear Gas; Ethanone, 2-chloro-1-phenyl-; α-Chloroacetophenone; α-Phenacyl chloride; ω-Chloroacetophenone; Chloromethyl phenyl ketone; CAF; CN; Phenacyl chloride; Phenyl chloromethyl ketone; 1-Chloroacetophenone; 2-Chloroacetophenone; Chloroacetophenone; CAP; NCI-C55107; Chemical mace; Chloracetophenone; 2-Chloro-1-phenylethanone; Mace; UN 1697; (2-Chloro-1-oxoethyl)benzene; 1-Phenyl-2-chloro-1-ethanone; Benzoylmethyl chloride; CN (lacrimator); Mace (lacrimator); NSC 41666; a-Chloroacetophenone
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Gas Chromatography
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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

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

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Pignataro, Foffani, et al., 1966
Pignataro, S.; Foffani, A.; Innorta, G.; Distefano, G., Molecular structural effects on the ionization potentials for metasubstituted aromatic compounds and for compounds of the type X-CH₂-R, Z. Physik. Chem. (Frankfurt), 1966, 49, 291. [all data]

Foffani, Pignataro, et al., 1964
Foffani, A.; Pignataro, S.; Cantone, B.; Grasso, F., Ionization potentials and substituent effects for aromatic carbonyl compounds, Z. Physik. Chem. (Frankfurt), 1964, 42, 221. [all data]

Distefano, Granozzi, et al., 1987
Distefano, G.; Granozzi, G.; Olivato, P.R.; Guerrero, S.A., Hyperconjugative interactions in halogen-substituted carbonyls: Ultraviolet photoelectron spectroscopy of w-halogenoacetophenones, J. Chem. Soc. Perkin Trans. 2, 1987, 1459. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

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