| Identification | Back Directory | [Name]
3-CYANO-5-NITROBENZOTRIFLUORIDE | [CAS]
20566-80-7 | [Synonyms]
BUTTPARK 100\01-72
3-CYANO-5-NITROBENZOTRIFLUORIDE
3-CYANO-5-NITROBENZOTRIFLUOROIDE
3-Cyano-5-nitrobenzotrifluoride 97%
3-NITRO-5-(TRIFLUOROMETHYL)BENZONITRILE
Benzonitrile, 3-nitro-5-(trifluoromethyl)-
3-Cyano-5-nitrobenzotrifluoride[3-Nitro-5-(trifluoroMethyl)benzonitrile] | [Molecular Formula]
C8H3F3N2O2 | [MDL Number]
MFCD03412207 | [MOL File]
20566-80-7.mol | [Molecular Weight]
216.12 |
| Chemical Properties | Back Directory | [Boiling point ]
241.8±40.0 °C(Predicted) | [density ]
1.49±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [Appearance]
Light yellow to yellow Crystal |
| Hazard Information | Back Directory | [Synthesis]
To a solution of dichloromethane (20 mL) containing 3-nitro-5-(trifluoromethyl)benzamide (1.5 g, 6.41 mmol) was sequentially added triethylamine (1.314 mL, 9.61 mmol) and trifluoroacetic anhydride (1.357 mL, 9.61 mmol) at 20 °C. The reaction mixture was stirred continuously at 20°C for 2 hours. The progress of the reaction was monitored by thin layer chromatography (Expanding Agent: Petroleum Ether/Ethyl Acetate=3:1, Rf=0.6) to confirm that the reaction was complete. After completion of the reaction, the mixture was concentrated to give the crude product. The crude product was purified by column chromatography (eluent: petroleum ether/ethyl acetate=3:1, Rf=0.6) to afford 3-nitro-5-(trifluoromethyl)benzonitrile (1.2 g, 5.14 mmol, 80% yield). The structure of the product was confirmed by NMR hydrogen spectroscopy (400 MHz, CDCl3-d): δ 8.71 (s, 2H), 8.24 (s, 1H). | [References]
[1] Patent: WO2014/141187, 2014, A1. Location in patent: Page/Page column 160; 161 |
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