Hexachloroacetone

• Formula: C₃Cl₆O
• Molecular weight: 264.750
• IUPAC Standard InChI: InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9 Copy

  
• IUPAC Standard InChIKey: DOJXGHGHTWFZHK-UHFFFAOYSA-N Copy
• CAS Registry Number: 116-16-5
• 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: 2-Propanone, 1,1,1,3,3,3-hexachloro-; Bis(trichloromethyl) ketone; Hexachloropropanone; HCA; Kureha HCA; 1,1,1,3,3,3-Hexachloro-2-propanone; 1,1,1,3,3,3-Hexachloropropanone; 2-Propanone, hexachloro-; Hexachloro-2-propanone; Acetone, hexachloro-; GC-1106; Perchloro-2-propanone; HCA weedkiller; UN 2661; NSC 6852; Perchloroacetone
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• Information on this page:
  • Gas phase ion energetics data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Appearance energy determinations

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, custom temperature program

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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.

Majer, Olavesen, et al., 1971
Majer, J.R.; Olavesen, C.; Robb, J.C., Wavelength effect in the photolysis of halogenated ketones, J. Chem. Soc. B, 1971, 48. [all data]

Zenkevich, Eliseenkov, et al., 2006
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N., Application of Retention Indices in GC-MS Identification of Halogenated Organic Compounds, Mass Spectromery (Rus.), 2006, 3, 2, 131-140. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy

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