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| | 5-(Trifluoromethyl)-1H-1,2,3-triazole Basic information |
| Product Name: | 5-(Trifluoromethyl)-1H-1,2,3-triazole | | Synonyms: | 1H-1,2,3-Triazole, 4-(trifluoromethyl)-;5-trifluoromethyl-1,2,3-triazole;1H-1,2,3-Triazole, 5-(trifluoromethyl)-;5-(Trifluoromethyl)-1H-1,2,3-triazole;4-(trifluoromethyl)-2H-triazole;4-(trifluoromethyl)-1H-1,2,3-triazole | | CAS: | 40964-54-3 | | MF: | C3H2F3N3 | | MW: | 137.06 | | EINECS: | | | Product Categories: | | | Mol File: | 40964-54-3.mol |  |
| | 5-(Trifluoromethyl)-1H-1,2,3-triazole Chemical Properties |
| Melting point | 83 °C | | Boiling point | 183.1±35.0 °C(Predicted) | | density | 1.79 g/cm3 | | storage temp. | Storage temp. 2-8°C | | pka | 6.43±0.70(Predicted) | | Appearance | White to off-white Solid |
| | 5-(Trifluoromethyl)-1H-1,2,3-triazole Usage And Synthesis |
| Definition | 5-(Trifluoromethyl)-1H-1,2,3-triazole is a fluorinated triazole derivative. Triazoles are an important class of organic compounds, playing an important role in modern medicinal chemistry. Compounds with 1,2,3- and 1,2,4-triazole moieties are known to possess fungicidal, antimicrobial, anticonvulsant, antidepressant, antibacterial, anti-inflammatory, analgesic and antitumor activities[1].
| | Synthesis | A mixture of 1H-1,2,3-Triazole-4-carboxylic Acid (39.0 g, 345 mmol), anhyd HF (50 mL) and SF4 (46.5 g, 430 mmol) in a 500-mL autoclave was heated at 120 °C (oil bath temperature) for 16 h. The reaction mixture was cooled to 0 °C and the autoclave was then opened. The residue was put on a Teflon plate; after the residual HF had been removed by heating at 30 °C for 1–2 h (CAUTION! This procedure must be carried out in a fume hood!), the product was dissolved in CH2Cl2 (300 mL) to remove all insoluble materials. The solution was evaporated under vacuum and the thus-formed tarry residue was purified by double sublimation (20 mmHg, ～80–90 °C) to give 5-(Trifluoromethyl)-1H-1,2,3-triazole (30.3 g, 221 mmol, 64%) as a white solid[1].
 | | References | [1] Mykhailiuk P, et al. Novel Synthetic Approaches to (Trifluoromethyl)triazoles. Synthesis, 2010; 7: 1075-1077. |
| | 5-(Trifluoromethyl)-1H-1,2,3-triazole Preparation Products And Raw materials |
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