Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester

• Formula: C₆H₇F₃O₃
• Molecular weight: 184.1132
• IUPAC Standard InChI: InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3 Copy

  
• IUPAC Standard InChIKey: OCJKUQIPRNZDTK-UHFFFAOYSA-N Copy
• CAS Registry Number: 372-31-6
• 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: Ethyl trifluoroacetoacetate; Ethyl 4,4,4-trifluoroacetoacetate; Ethyl γ,γ,γ-trifluoroacetoacetate; 4,4,4-Trifluoroacetoacetic acid ethyl ester; Ethyl ω,ω,ω-trifluoroacetoacetate; Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester; Ethyl (trifluoroacetyl)acetate; Acetoacetic acid, 4-trifluoro-, ethyl ester; Ethyl 4,4,4-trifluoro-3-oxobutanoate; Ethyl 4,4,4-trifluoro-3-oxobutyrate; NSC 42739; 4,4,4-Trifluoro-3-oxobutanoic acid ethyl ester
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
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Phase change 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: Robert L. Brown and Stephen E. Stein

IR Spectrum

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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: Coblentz Society, Inc.

Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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

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

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

Notes

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• Symbols used in this document:
  

  Tboil

  Boiling point

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