4-(三氟乙酰基)甲苯
4-(trifluoroacetyl)toluene
CAS: 394-59-2
Molecular Formula: C9H7F3O
4-(三氟乙酰基)甲苯 - Names and Identifiers
| Name | 4-(trifluoroacetyl)toluene |
| Synonyms | 4-(TRIFLUOROACETYL)TOLUENE 4-(trifluoroacetyl)toluene 4-(Trifluoroacetyl)toluene 4-(Trifluoroacetyl)toluene97. (Trifluoromethyl)-p-tolylketone 2,2,2-trifluoro-1-p-tolylethanone 2,2,2-TRIFLUORO-1-(P-TOLYL)ETHANONE 2,2,2-TRIFLUORO-4'-METHYLACETOPHENONE 4'-METHYL-2,2,2-TRIFLUOROACETOPHENONE 2,2,2-trifluoro-1-(4-methylphenyl)ethanone Ethanone,2,2,2-trifluoro-1-(4-methylphenyl)- |
| CAS | 394-59-2 |
| InChI | InChI=1/C9H7F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5H,1H3 |
4-(三氟乙酰基)甲苯 - Physico-chemical Properties
| Molecular Formula | C9H7F3O |
| Molar Mass | 188.15 |
| Density | 1.2304 g/cm3(Temp: 25 °C) |
| Melting Point | 5°C |
| Boling Point | 70 °C |
| Flash Point | 70-72°C/15mm |
| Vapor Presure | 0.439mmHg at 25°C |
| Appearance | clear liquid |
| Color | Colorless to Light yellow to Light orange |
| BRN | 1870406 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.47 |
| MDL | MFCD00052338 |
4-(三氟乙酰基)甲苯 - 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S37 - Wear suitable gloves. |
| HS Code | 29039990 |
| Hazard Class | IRRITANT |
4-(三氟乙酰基)甲苯 - Reference Information
| Use | 4-(trifluoroacetyl) toluene is a trifluoromethyl derivative. Trifluoromethyl compounds show many very unique physical and chemical properties due to their strong electron-withdrawing and highly esterophilic properties. It is also an important pharmaceutical intermediate. |
| preparation | in a nitrogen atmosphere, put a polytetrafluoroethylene magnet in a reactor, add 0.4 mmol p-methylbenzene diazo tetrafluoroborate, 0.1 mmol cuprous oxide, 1 mL dichloromethane, 0.8 mmol dimethyl sulfoxide, finally add 1.2 mmol ethyl trifluoropruvate, stir and react at 25°C in a closed system for 16 h, the organic phase was extracted 3 times with ether, 10 mL each time, combined with organic phase, washed 3 times with distilled water, the organic phase was dried with anhydrous magnesium sulfate, filtered, and then spin-evaporated to remove the organic agent; The obtained crude product was eluted by silica gel column chromatography with n-pentane as eluent to obtain 4-(trifluoroacetyl) toluene (separation yield 86%). |
Last Update：2024-04-09 15:16:50
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