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:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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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
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
  • 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

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)

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

• gas; HP-GC/MS/IRD

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.

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

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