α,α,α-Trifluoro-o-tolunitrile

• Formula: C₈H₄F₃N
• Molecular weight: 171.1193
• IUPAC Standard InChI: InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H Copy

  
• IUPAC Standard InChIKey: SOZGHDCEWOLLHV-UHFFFAOYSA-N Copy
• CAS Registry Number: 447-60-9
• 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: o-Trifluoromethylbenzonitrile; 2-Trifluoromethylbenzonitrile; Benzonitrile, 2-(trifluoromethyl)-; o-Tolunitrile, alpha,alpha,alpha-trifluoro-; alpha,alpha,alpha-Trifluoro-o-tolunitrile; α,α,α-trifluoro-2-toluonitrile
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
• Options:
  • Switch to calorie-based units

Phase change data

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: Robert L. Brown and Stephen E. Stein

IR Spectrum

Go To: Top, Phase change data, References, Notes

Data compiled by: Coblentz Society, Inc.

• SOLUTION (10% CCl4 FOR 3800-1340, 10% CS2 FOR 1340-460 CM^-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution

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

• gas

References

Go To: Top, Phase change data, IR Spectrum, Notes

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

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Notes

Go To: Top, Phase change data, IR Spectrum, References

• Symbols used in this document:
  

  Tboil

  Boiling point

• 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.