Pentafluorobenzonitrile
Compound with spectra: 8 NMR, 6 FTIR, 2 Raman, and 2 MS (GC)
| SpectraBase Compound ID | ETSlEWFMOAh |
|---|---|
| InChI | InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10 |
| InChIKey | YXWJGZQOGXGSSC-UHFFFAOYSA-N |
| Mol Weight | 193.08 g/mol |
| Molecular Formula | C7F5N |
| Exact Mass | 192.99509 g/mol |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Fluka AG, Buchs, Switzerland |
| 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 © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 | 196711 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 chloroform-d |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CCl4 carbon tetrachl |
| 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 | A13575 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 196711 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Pierce Chemical Company, Rockford, Illinois |
| Technique | CAPILLARY CELL: NEAT |
| 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 | A13575 |
| 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 | 196711 |
| Technique | Neat |
| 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 | A13575 |
| 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 | 196711 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | O-4-13-30 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-8819-0 |
- 2,3,4,5,6-Pentafluorobenzonitrile
- YXWJGZQOGXGSSC-UHFFFAOYSA-N
- Benzonitrile, pentafluoro-
- CYANOPENTAFLUOROBENZENE
- PERFLUORO-BENZONITRILE
Tetrafluoroterephthalonitrile
PENTAFLUOROBENZOYL CATION
PENTAFLUOROPHENYLACETYLENE
PENTAFLUOROBENZALDEHYDE PROTONATED
Pentafluorobenzaldehyde
Benzene, 1-ethyl-2,3,4,5,6-pentafluoro-
2,3,4,5,6-Pentafluorostyrene
2,3,4,5,6-Pentafluorobenzyl alcohol
alpha-BROMO-2,3,4,5,6-PENTAFLUOROTOLUENE
2,3,4,5,6-Pentafluorobenzyl chloride
| Title | Journal or Book | Year |
|---|---|---|
| Nucleophilic displacement in polyhalogenoaromatic compounds. Part 9. Kinetics of azidodefluorination and methoxydefluorination of some polyfluorobenzonitriles | Journal of the Chemical Society, Perkin Transactions 2 | 1978 |
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.
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.