2',6'-Difluoroacetophenone
2',6'-Difluoroacetophenone
CAS: 13670-99-0
Molecular Formula: C8H6F2O
2',6'-Difluoroacetophenone - Names and Identifiers
| Name | 2',6'-Difluoroacetophenone |
| Synonyms | TIMTEC-BB SBB006686 2,6-DIFLUOROACETOPHENONE 2,6-Difluoro acetophenone 2',6'-Difluoroacetophenone 2',6'-DIFLUOROACETOPHENONE Acetophenone, 2',6'-difluoro- 1-(2,6-Difluorophenyl)ethanone 1-(2,6-difluorophenyl)ethan-1-one |
| CAS | 13670-99-0 |
| EINECS | 237-151-9 |
| InChI | InChI=1/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3 |
2',6'-Difluoroacetophenone - Physico-chemical Properties
| Molecular Formula | C8H6F2O |
| Molar Mass | 156.13 |
| Density | 1.197g/mLat 25°C(lit.) |
| Melting Point | 52-55°C |
| Boling Point | 76-79°C15mm Hg(lit.) |
| Flash Point | 170°F |
| Water Solubility | Slightly soluble in water. |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Vapor Presure | 0.983mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.197 |
| Color | Clear colorless to slightly yellow |
| BRN | 2046068 |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.48(lit.) |
2',6'-Difluoroacetophenone - 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. |
| WGK Germany | 3 |
| HS Code | 29147000 |
| Hazard Class | IRRITANT |
2',6'-Difluoroacetophenone - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Use | 2, 6-difluoroacetophenone is an intermediate in organic synthesis, can be used in laboratory research and development process and chemical and pharmaceutical synthesis process. |
| preparation | magnesium chloride (167g,1.75mol) was added to diethyl malonate (125g,780mmol) in chlorobenzene (500mL) solution, and the slurry was stirred at ambient temperature for 30 min. With external cooling, the internal temperature was maintained between 25-27 °c during the addition and triethylamine (238ML, 1.71mol) was added. The slurry was stirred at ambient temperature for 30 min. With external cooling, a solution of 2,6-difluorobenzoyl chloride (100g,565mmol) in chlorobenzene (100ml) was slowly added keeping the temperature between 25-27 °c during the addition. The slurry was stirred at ambient temperature for 2 hours and then cooled to 0 °c. The slurry was poured into 1N hydrochloric acid (2000ml). The two-phase mixture was returned to ambient temperature and the phases were allowed to separate. The phases were separated. To a portion of the chlorobenzene phase (76g) was added a mixture of concentrated sulfuric acid (10ml) and 60% aqueous acetic acid (35ml). The mixture was heated to 91-94 °c for 7 hours, cooled to ambient temperature and then adjusted to pH 7 with 10% aqueous sodium hydroxide. The phases were separated and the aqueous phase was back-extracted with chlorobenzene. The chlorobenzene phases were combined and washed with water. HPLC weight% analysis of the combined chlorobenzene phases indicated a yield of 7.57g(87%) of 2, 6-difluoroacetophenone. |
Last Update：2024-04-09 20:49:11
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