4-(Trifluoromethyl)cyclohexan-1-one
4-(trifluoromethyl)cyclohexanone
CAS: 75091-99-5
Molecular Formula: C7H9F3O
4-(Trifluoromethyl)cyclohexan-1-one - Names and Identifiers
| Name | 4-(trifluoromethyl)cyclohexanone |
| Synonyms | 4-(trifluoromethyl)cyclohexanone 4-(TRIFLUOROMETHYL)CYCLOHEXANONE Cyclohexanone, 4-(trifluoromethyl)- 4-(Trifluoromethyl)cyclohexan-1-one 4-(TRIFLUOROMETHYL)CYCLOHEXAN-1-ONE 1-Oxo-4-(trifluoromethyl)cyclohexane |
| CAS | 75091-99-5 |
| InChI | InChI=1/C7H9F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5H,1-4H2 |
4-(Trifluoromethyl)cyclohexan-1-one - Physico-chemical Properties
| Molecular Formula | C7H9F3O |
| Molar Mass | 166.14 |
| Density | 1.221 at 25 °C |
| Boling Point | 82 °C |
| Flash Point | 76℃ |
| Vapor Presure | 2.916mmHg at 25°C |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | n20/D1.400 |
4-(Trifluoromethyl)cyclohexan-1-one - Risk and Safety
| Risk Codes | R10 - Flammable R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R50 - Very Toxic to aquatic organisms R25 - Toxic if swallowed |
| Safety Description | S16 - Keep away from sources of ignition. S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | 1993 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| Hazard Class | 3 |
4-(Trifluoromethyl)cyclohexan-1-one - Reference Information
| Preparation | Add (trifluoromethyl) trimethylsilane (35 mmol) to 1,4-cyclohexanedione monoethylene glycol ketal (32 mmol) and tetrabutylammonium fluoride (1 M solution in tetrahydrofuran, 1.1 mL, 1.1 mmol) in tetrahydrofuran (100 ml). Stir the reaction mixture for 2 days. Dilute the reaction mixture with dichloromethane (300 ml). The reaction mixture was washed with saturated ammonium chloride aqueous solution (300 ml) and saturated brine (300 ml). Remove the solvent by vacuum. Dissolve the solid in tetrabutylammonium fluoride solution (1 M solution in tetrahydrofuran, 35 mL,35 mmol). After 1 hour, dilute the mixture with dichloromethane (300 mL). Wash the reaction mixture with saturated saline (2 x 300 mL). Filter the organic phase through a tampon. Remove the solvent by vacuum. The product was purified by rapid chromatography (3/7 ethyl acetate/hexane). |
Last Update：2024-04-09 02:00:01
