alpha,alpha,alpha-TRIFLUORO-p-TOLUALDEHYDE
Compound with spectra: 11 NMR, 4 FTIR, 1 Raman, and 2 MS (GC)
| SpectraBase Compound ID | LEb00mRnbAr |
|---|---|
| InChI | InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H |
| InChIKey | BEOBZEOPTQQELP-UHFFFAOYSA-N |
| Mol Weight | 174.12 g/mol |
| Molecular Formula | C8H5F3O |
| Exact Mass | 174.029249 g/mol |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Mixture |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Mixture |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 224944 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 224944 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | FSO3H:SBF5(1:1)/SO2 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Catalog Number | T1091 |
| Technique | CAPILLARY CELL: NEAT |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 224944 |
| Technique | Neat |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | QE-22-SM5-5-2 (DOI: 10.1002/chem.201600387) |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 224944 |
| Copyright | Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 224944 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 224944 |
- 4-(Trifluoromethyl)benzaldehyde
- BEOBZEOPTQQELP-UHFFFAOYSA-N
- 4-TRIFLUOROMETHYL-BENZOYL-CATION
- P-TOLUALDEHYDE, A,A,A-TRIFLUORO-,
4-Methylbenzotrifluoride
1,4-Bis(trifluoromethyl)benzene
alpha,alpha,alpha-Trifluoro-p-cresol
Toluene, p,.alpha.,.alpha.,.alpha.-tetrafluoro-
4-Chlorobenzotrifluoride
4-Bromobenzotrifluoride
4-Iodobenzotrifluoride
alpha,alpha,alpha-TRIFLUORO-p-TOLUIDINE, HYDROCHLORIDE
4-trifluoromethyl-N-methylaniline
4-Propylbenzaldehyde
| Title | Journal or Book | Year |
|---|---|---|
| Conformational analysis. Part 29.1 The conformational analysis of 2-substituted fluoro- and trifluoromethyl-benzaldehydes, acetophenones and methyl benzoates by the lanthanide induced shift (LIS) technique | Journal of the Chemical Society, Perkin Transactions 2 | 1997 |
| Oxygen-17 NMR spectroscopic study of substituted benzoyl cations | The Journal of Organic Chemistry | 1984 |
This compound is available in the following databases:
KnowItAll IR Spectral Library
Author: Wiley
Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. Learn more.
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.