2-Nitrobenzotrifluoride
Compound with spectra: 11 NMR, 6 FTIR, 2 Raman, and 2 MS (GC)
| SpectraBase Compound ID | KKhrMNXo8GM |
|---|---|
| InChI | InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-1-2-4-6(5)11(12)13/h1-4H |
| InChIKey | NDZJSUCUYPZXPR-UHFFFAOYSA-N |
| Mol Weight | 191.11 g/mol |
| Molecular Formula | C7H4F3NO2 |
| Exact Mass | 191.019413 g/mol |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| 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 | not reported |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C6D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| 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 | 152218 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CCl4 carbon tetrachl |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | not reported |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 chloroform-d |
| Copyright | Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Acros Organics |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | 166520010 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 152218 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Pierce Chemical Company, Rockford, Illinois |
| Technique | CAPILLARY CELL: MELT |
| Copyright | Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Acros Organics |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | 166520010 |
| Technique | Melt (Liquid) |
| Copyright | Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Acros Organics |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | 166520010 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 152218 |
| 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 | 152218 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | QF-46-1134-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | W5-0-0-0 |
| 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 | 152218 |
| Solvent | CDCl3 |
- 2-NITROBENZOTRIFLUORID
- TOLUENE, O-NITRO-A,A,A-TRIFLUORO-,
- o-NITRO-alpha,alpha,alpha-TRIFLUOROTOLUENE
- 2-Nitro-α,α,α-trifluorotoluene
- .alpha.,.alpha.,.alpha.-Trifluoro-o-nitrotoluene
- 2-Trifluoromethyl-nitrobenzene
- ORTHO-TRIFLUOROMETHYLNITROBENZENE
1-tert-BUTYL-2-NITROBENZENE
ORTHO-TRIFLUOROMETHYLDIMETHYLANILINE
2-Trifluoromethyl-phenylisocyanate
2-(Trifluoromethyl)phenyl isothiocyanate
1-(2-Methylpropyl)-2-nitrobenzene
1-Nitro-2-(nitromethyl)benzene
N-(2-nitrobenzyl)ethanamine
beta,beta-DICHLORO-o-NITROSTYRENE
3-(2-Nitrophenyl)propanenitrile
1-NITRO-2-(2-THIOMETHOXYETHYL)-BENZENE
| 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.