For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Chloro-2-nitrobenzotrifluoride
SpectraBase Compound ID DdhFsxOOo8i
InChI InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
InChIKey CFPIGEXZPWTNOR-UHFFFAOYSA-N
Mol Weight 225.55 g/mol
Molecular Formula C7H3ClF3NO2
Exact Mass 224.980441 g/mol
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique Film
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample PCR, Inc., Gainesville, Florida
Technique CAPILLARY CELL: NEAT
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L11561
Technique Neat
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number C60805
Technique Neat
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample PCR, Inc., Gainesvile, Florida
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number C60805
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L11561
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L11561
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number C60805
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number C60805
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum RB-1982-15200-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number C60805
Solvent CDCl3
  • 4-Chloro-1-nitro-2-(trifluormethyl)benzene
  • 5-Chloro-2-nitro-alpha,alpha,alpha-trifluorotoluene
  • 2-NITRO-5-CHLORBENZOTRIFLUORID
  • 3-CHLORO-6-NITRO-1-TRIFLUOROMETHYL-BENZENE
  • TOLUENE, 5-CHLORO-2-NITRO- A,A,A-TRIFLUORO-,
  • 4-Chloro-2-trifluoromethyl-nitrobenzene
  • 4-Chloro-1-nitro-2-(trifluoromethyl)benzene
  • 4-Chloranyl-1-nitro-2-(trifluoromethyl)benzene
  • Benzene, 4-chloro-1-nitro-2-(trifluoromethyl)-
  • Toluene, 5-chloro-alpha,alpha,alpha-trifluoro-2-nitro-
Title Journal or Book Year
Carbon-13-fluorine-19 coupling constants in benzotrifluorides Organic Magnetic Resonance 1977

This compound is available in the following databases:

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

KnowItAll IR, Raman, and UV-Vis Spectral Libraries

Author: Wiley

The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.

KnowItAll Mass Spectral Library

Author: Wiley

The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.