1-Butanone, 1-(4-chlorophenyl)-

• Formula: C₁₀H₁₁ClO
• Molecular weight: 182.647
• IUPAC Standard InChI: InChI=1S/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3 Copy

  
• IUPAC Standard InChIKey: XLCJPQYALLFIPW-UHFFFAOYSA-N Copy
• CAS Registry Number: 4981-63-9
• Chemical structure:
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• Other names: Butyrophenone, 4'-chloro-; p-Chlorobutyrophenone; 4-Chlorophenyl propyl ketone; 4'-Chlorobutyrophenone; 1-[4-(chloromethyl)phenyl]-1-butanone; 1-(4-Chlorophenyl)-1-butanone
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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 by: 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

Gas Chromatography

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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

Normal alkane RI, non-polar column, temperature ramp

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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.

McLafferty and Wachs, 1967
McLafferty, F.W.; Wachs, T., Substituent effects in unimolecular ion decompositions. IX. Specific hydrogenrearrangement in butyrophenones, J. Am. Chem. Soc., 1967, 89, 5043. [all data]

Zenkevich and Makarov, 2007
Zenkevich, I.G.; Makarov, A.A., Identification of Alkylarene Chloromethylation Products Using Gas-Chromatographic Retention Indices, Russian Journal of General Chemistry, 2007, 77, 4, 611-619, https://doi.org/10.1134/S1070363207040196 . [all data]

Notes

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

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