1-Fluoro-3-(trifluoro-methyl)benzene

• Formula: C₇H₄F₄
• Molecular weight: 164.1003
• IUPAC Standard InChI: InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H Copy

  
• IUPAC Standard InChIKey: GBOWGKOVMBDPJF-UHFFFAOYSA-N Copy
• CAS Registry Number: 401-80-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: m-Fluorobenzotrifluoride; 3-Fluorobenzotrifluoride; Benzene, 1-fluoro-3-(trifluoromethyl)-; m,α,α,α-Tetrafluorotoluene; Toluene, α,α,α-m-tetrafluoro-; Toluene, m,α,α,α-tetrafluoro-; Trifluoromethyl-3-fluorobenzene; 1-(Trifluoromethyl)-3-fluorobenzene; m,alpha,alpha,alpha-Tetrafluorotoluene; 3-Fluoro(trifluoromethyl)benzene; α,α,α,3-Tetrafluorotoluene; Benzene, 1-fluoromethyl-3-trifluoromethyl
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
• Options:
  • Switch to SI units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

IR Spectrum

Go To: Top, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

• SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-460 CM^-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution

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

• gas

Gas Chromatography

Go To: Top, IR Spectrum, References, Notes

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

View large format table.

References

Go To: Top, IR Spectrum, Gas Chromatography, Notes

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

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]

Zenkevich, Makarov, et al., 2005
Zenkevich, I.G.; Makarov, A.A.; Eliseenkov, E.V., The XXIX Symposium Chromatographic Methods of Investigating the Organic Compounds. Book of Abstracts, Retention indices of some fluorinated arenes C7-C9 on polar inorganic sorbents. Unusual behavior of Silipor 600, Institute of Chemistry, Silesian University, Katowice, Poland, 2005, 43. [all data]

Notes

Go To: Top, IR Spectrum, Gas Chromatography, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.