1-Nitro-4-(trifluoromethyl)benzene
Compound with spectra: 5 NMR, 5 FTIR, 2 Raman, and 3 MS (GC)
| SpectraBase Compound ID | 5odTn449Oeu |
|---|---|
| InChI | InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H |
| InChIKey | XKYLCLMYQDFGKO-UHFFFAOYSA-N |
| Mol Weight | 191.11 g/mol |
| Molecular Formula | C7H4F3NO2 |
| Exact Mass | 191.019413 g/mol |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH3CN |
| Copyright | Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company Llc. |
| Source of Spectrum | Bio-Rad Laboratories |
| Catalog Number | 211788 |
| Copyright | Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 211788 |
| Copyright | Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company Llc. |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | 211788 |
| Technique | Melt (Crystalline - Buffed) |
| 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 | 211788 |
| Technique | Melt |
| Copyright | Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company Llc. |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | 211788 |
| 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 | 211788 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JP6830599B2 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KC-0-3084-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | A1-16-4268/SMS21-arb5 |
| 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 | 211788 |
| 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 | 211788 |
| 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 | 211788 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CCl4 carbon tetrachl |
- 4-(Trifluoromethyl)nitrobenzene
- 1-NITRO-4-(TRIFLUORMETHYL)-BENZENE
- 4-Nitro-alpha,alpha,alpha-Trifluoro-Toluene
- 4-Nitrobenzotrifluoride
- 4-nitro (trifluoromethyl)benzene
- PARA-TRIFLUOROMETHYLNITROBENZENE
- UN 2306 (Related)
- p-Nitrobenzotrifluoride
- p-Nitro(trifluoromethyl)benzene
- Benzene, 1-nitro-4-(trifluoromethyl)-
- Toluene, 4-nitro-.alpha.,.alpha.,.alpha.-trifluoro-
- NSC 159121
1-(Difluoromethyl)-4-nitrobenzene
1-nitro-4-(prop-1-yn-1-yl)benzene
(4-Nitrophenyl)acetonitrile
JXMYUMNAEKRMIP-UHFFFAOYSA-N
Dimethyl-[4-(trifluoromethyl)phenyl]amine
N-(Prop-2-yn-1-yl)-4-(trifluoromethyl)aniline
Benzene, 1-[(dimethylsulfanylidene)amino]-4-(trifluoromethyl)-
N-methyl-N-[4-(trifluoromethyl)phenyl]azo-methanamine
Formamidine, N,N-dimethyl-N'-(.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl)-
N-(4-Nitrophenyl)cyanamide
| Title | Journal or Book | Year |
|---|---|---|
| Substituent effects on nitrogen-15 and oxygen-17 chemical shifts in nitrobenzenes: correlations with electron densities | The Journal of Organic Chemistry | 1983 |
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 Raman Spectral Library
Author: Wiley
Wiley's KnowItAll Raman Spectral Library offers access to the world's largest collection of high-quality Raman spectra, including the renowned Sadtler databases. Learn more.
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