434-45-7
Alpha,Alpha,Alpha-Trifluoroacetophenone
CAS: 434-45-7
Molecular Formula: C8H5F3O
434-45-7 - Names and Identifiers
| Name | Alpha,Alpha,Alpha-Trifluoroacetophenone |
| Synonyms | NSC 42752 Trifluoroacetophenone 2,2,2-trifluroacetophenone 1-Phenyl-2,2,2-trifluoroethanone 1-Phenyl-2,2,2-trifluoroethan-1-one 2,2,2-Trifluoro-1-phenyl-1-ethanone Alpha,Alpha,Alpha-Trifluoroacetophenone A,A,A-TRIFLUOROACETOPHENONE FOR SYNTHESI α,α,α-Trifluoroacetophenone, Phenyl trifluoromethyl ketone |
| CAS | 434-45-7 |
| EINECS | 207-103-1 |
| InChI | InChI=1/C8H11F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6H,1-5H2 |
| InChIKey | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
434-45-7 - Physico-chemical Properties
| Molecular Formula | C8H5F3O |
| Molar Mass | 174.12 |
| Density | 1.24 g/mL at 25 °C (lit.) |
| Melting Point | -40 °C |
| Boling Point | 165-166 °C (lit.)46-48 °C/14 mmHg (lit.) |
| Flash Point | 107°F |
| Water Solubility | PRACTICALLY INSOLUBLE |
| Solubility | Chloroform, Ethyl Acetate |
| Vapor Presure | 1.72mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.240 |
| Color | Clear colorless to yellow |
| BRN | 1866286 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.458(lit.) |
434-45-7 - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - 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. S37/39 - Wear suitable gloves and eye/face protection S16 - Keep away from sources of ignition. |
| UN IDs | UN 1224 3/PG 3 |
| WGK Germany | 3 |
| TSCA | T |
| HS Code | 29147090 |
| Hazard Note | Corrosive/Lachrymatory |
| Hazard Class | 3 |
| Packing Group | III |
434-45-7 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | 2,2, 2-trifluoroacetophenone is a ketone organic substance and can be used as a chemical reagent. |
| synthesis method | 2,2, 2-trifluoroacetophenone commonly used synthesis methods are:(1) trifluoroacetic acid directly reacts with the Grignard reagent of bromobenzene, one-step direct synthesis. The yield is about 60%. The method has the advantages of simple operation and cheap raw materials. Disadvantages: intense heat release and low yield. (2) Under the action of Lewis acid AlCl3 in carbon disulfide solvent at -40 ℃, trifluoroacetic anhydride and benzene ring undergoes the acylation reaction, and the yield is about 70%. Advantages of this method: one-step synthesis. Disadvantages: The solvent is toxic, AlCl3 is difficult to handle, the use of strong acid, strong alkali corrosion equipment and environmental pollution. (3) trifluoromethane gas is prepared by reacting with benzoate or benzoyl chloride. Yield 70-80%. |
Last Update：2024-04-09 20:52:54
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