4-(trifluoromrthoxy)nitrobebzene
4-(trifluoromethoxy)nitrobenzene
CAS: 713-65-5
Molecular Formula: C7H4F3NO3
4-(trifluoromrthoxy)nitrobebzene - Names and Identifiers
4-(trifluoromrthoxy)nitrobebzene - Physico-chemical Properties
| Molecular Formula | C7H4F3NO3 |
| Molar Mass | 207.11 |
| Density | 1,447 g/cm3 |
| Melting Point | 15°C |
| Boling Point | 87 °C |
| Flash Point | 87-89°C/15mm |
| Water Solubility | Not miscible or difficult to mix in water. |
| Vapor Presure | 0.196mmHg at 25°C |
| Appearance | clear liquid |
| Color | Light orange to Yellow to Green |
| BRN | 1966388 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.467 |
| Physical and Chemical Properties | This product is solid. |
4-(trifluoromrthoxy)nitrobebzene - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37 - Wear suitable gloves. S23 - Do not breathe vapour. |
| HS Code | 29093090 |
| Hazard Class | IRRITANT |
4-(trifluoromrthoxy)nitrobebzene - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Application | 1-nitro-4-(trifluoromethoxy) benzene, is an important raw material for the synthesis of trifluoromethoxyaniline, and trifluoromethoxyaniline as a fluorine-containing organic intermediate, can be widely used in pesticides, pharmaceuticals, liquid crystal materials, such as for the synthesis of various pesticides, herbicides, electrophotographic materials, active optical fibers, and for the synthesis of the treatment of cardiovascular, diabetes and other medicines. With the continuous development of these downstream products, the demand for trifluoromethoxyaniline will gradually increase. |
| preparation | with pure trifluoromethoxybenzene as raw material, with fuming nitric acid and concentrated sulfuric acid mixed acid as nitrating agent, the mass concentration of nitric acid in nitrating agent was 23.6%, and the mass concentration of water was 3%. Feed the raw material and the nitrated acid at a flow rate of 1.0/min and 1.4/min, respectively, by means of two Series II digital pumps for continuous delivery equipment, the feed ratio of nitric acid to trifluoromethoxybenzene was 1.17. The starting material and the nitrated acid were strongly mixed in a parallel microchannel reactor with a channel equivalent diameter of 0.6 and a holding liquid volume of 46% and subjected to an initial reaction (conversion of 51% to of the tested reactants), and then, the mixed materials are further mixed and reacted in the second reactor (packing tube) of the reaction residence equipment at the back of the microchannel reactor, the packing tube was a tube having a porosity of 38.4% to 40% (tube reactor with mixing element), and the reaction mass was allowed to stand in the second reactor for 30 seconds. At the same time, the reaction temperature of the microchannel reactor and the tube reactor is controlled to be 20 ℃, and the product nitrotrifluoromethoxybenzene and the waste acid are obtained at the outlet of the tube. The two phases are separated, the organic matter in the acid phase is extracted with 10% water, and the upper product is combined, the product was washed alternately with water and alkaline water to neutral. To Agilent 7890 gas chromatography detection, the column was DB-1701, with the peak area of quantitative product intermediate, Para, Ortho-nitrates and dinitrate concentration. After analysis, the conversion rate of the raw material was 99.8%, and the intermediate, pair and ortho-nitrates were 0.07%, 91.5%, 7.4%, and 0.5%, respectively. |
| Use | This product is used in the synthesis of 4-trifluoromethoxyaniline, an intermediate of the synthesis of the product. |
| production method | the production method is to fluorinate p-nitrophenol and carbon tetrachloride with HF to obtain 4-trifluoromethoxynitrobenzene. Hydrogen fluoride was introduced into a bomb reactor containing p-nitrophenol and carbon tetrachloride, reacted with anhydrous SbF3 in the presence of SbCl5 catalyst, and the mixture was stirred at 100 ° C. For 2H under nitrogen flow, the reaction was then stirred at 150 °c to give 4-trifluoromethoxynitrobenzene. |
Last Update：2024-04-09 15:16:52
