Name | 4-(Trifluoromethyl)acetophenone |
Synonyms | 4-ACETYLBENZOFLUORIDE 4-Acetylbenzotrifluoride 4-ACETYLBENZOTRIFLUORIDE p-Trifluoromethylacetophenone 2-bromo-2,2-difluoroethanamine Sodium4-trifluoromethylbenzoate 4-(TRIFLUOROMETHYL)ACETOPHENONE 4-(Trifluoromethyl)acetophenone 4'-(TRIFLUOROMETHYL)ACETOPHENONE 4[-(Trifluoromethyl)acetophenone 4-(Trifluoromethyl) acetophenone 4'-(Trifluoromethyl)acetophenone 1-(4-Trifluoromethyl-phenyl)-ethanone 1-[4-(Trifluoromethyl)phenyl]ethanone 1-[4-(trifluoromethyl)phenyl]ethanone 1-[4-(Trifluoromethyl)phenyl]ethan-1-one Ethanone, 1-[4-(trifluoromethyl)phenyl]- |
CAS | 709-63-7 |
EINECS | 211-913-0 |
InChI | InChI=1/C2H4BrF2N/c3-2(4,5)1-6/h1,6H2 |
Molecular Formula | C9H7F3O |
Molar Mass | 188.15 |
Density | 0.92 |
Melting Point | 30-33°C(lit.) |
Boling Point | 79-80°C8mm Hg(lit.) |
Flash Point | 184°F |
Vapor Presure | 17.8mmHg at 25°C |
Appearance | Low Melting Solid |
Color | White to faintly yellow |
BRN | 1870425 |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.4604 |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R11 - Highly Flammable |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection S16 - Keep away from sources of ignition. |
WGK Germany | 3 |
HS Code | 29147090 |
Hazard Class | IRRITANT |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
Introduction | 4 '-trifluoromethyl acetophenone is an organic intermediate obtained by oxidation of p-trifluoromethyl ethylbenzene. Acyl groups are commonly found in organic synthesis intermediates and drug compounds. Therefore, the reaction of direct oxidation of C- H bond of aryl side chain to ketone has been widely used in chemical industry, especially in pharmaceutical industry and other fields. |
Use | 4 '-trifluoromethyl acetophenone can be used as a synthetic intermediate in pharmaceutical and chemical industry. |
preparation | 41.6g of chlorocyclohexane (0.35mol) was added dropwise to 4.65g of lithium particles (0.68mol) at -55 °c. In a suspension in 350g of THF, and an addition time of 2 hours was selected. After a conversion of chlorocyclohexane by GC of> 97% (10 hours total), a mixture of 38.3g of 4-bromotrifluorotoluene (0.170mol) and 7.0G of acetonitrile (0.170mol) was added dropwise at the same temperature. For 15 minutes. After stirring for an additional 30 minutes at -50 °c, the reaction mixture was slowly thawed to room temperature and subjected to an aqueous work-up in the usual manner. The yield of 4-trifluoromethylacetophenone after distillation was 81%. |