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| | 3',4'-Difluoroacetophenone Basic information |
| Product Name: | 3',4'-Difluoroacetophenone | | Synonyms: | 1-(3,4-DIFLUORO-PHENYL)-ETHANONE;3,4-DIFLUOROACETOPHENONE;OTAVA-BB BB7020410077;Ethanone, 1-(3,4-difluorophenyl)-;3,4-Difluoroacetophenone,98%;3',4'-Difluoro;3',4'-Difluoroacetophenone 99%;3',4'-Difluoroacetophenone99% | | CAS: | 369-33-5 | | MF: | C8H6F2O | | MW: | 156.13 | | EINECS: | 206-717-7 | | Product Categories: | Acetophenone Series;Aromatic Acetophenones & Derivatives (substituted);ketone;Miscellaneous;Adehydes, Acetals & Ketones;Fluorine Compounds;C7 to C8;Carbonyl Compounds;Ketones;bc0001 | | Mol File: | 369-33-5.mol |  |
| | 3',4'-Difluoroacetophenone Chemical Properties |
| Melting point | 19-20 °C(lit.) | | Boiling point | 94-95 °C13 mm Hg(lit.) | | density | 1.246 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.4916(lit.) | | Fp | 167 °F | | storage temp. | Sealed in dry,Room Temperature | | form | powder to lump to clear liquid | | color | White or Colorless to Light yellow | | Specific Gravity | 1.246 | | Water Solubility | INSOLUBLE | | BRN | 2206856 | | InChI | 1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3 | | InChIKey | VWJSSJFLXRMYNV-UHFFFAOYSA-N | | SMILES | CC(=O)c1ccc(F)c(F)c1 | | CAS DataBase Reference | 369-33-5(CAS DataBase Reference) | | NIST Chemistry Reference | 3',4'-Difluoroacetophenone(369-33-5) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29147000 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3',4'-Difluoroacetophenone Usage And Synthesis |
| Chemical Properties | clear yellowish liquid after melting | | Uses | 3′,4′-Difluoroacetophenone may be used in chemical synthesis. | | Definition | ChEBI: 1-(3,4-Difluorophenyl)ethan-1-one is an aromatic ketone. | | Synthesis | Anhydrous aluminum trichloride (117 g) was slowly added to a mixed solution of 1,2-difluorobenzene (50 g) with acetyl chloride (86 g) at room temperature. The formed slurry was heated to 30°C with continuous stirring. Upon completion of the reaction, the red reaction mixture was cooled to 20 °C and subsequently slowly poured into 800 g of ice-water mixture with continued stirring for 30 min. The organic phase was separated and the aqueous phase was extracted with dichloromethane (3 x 500 ml). All organic phases were combined and washed sequentially with water (2 x 500 ml), saturated sodium bicarbonate solution (2 x 500 ml) and 15% brine (2 x 500 ml), followed by drying with anhydrous sodium sulfate. The organic phases were concentrated to remove the solvent and finally distilled under reduced pressure to collect the fractions at 95 °C/13 mmHg to give 3',4'-difluoroacetophenone (51 g). | | References | [1] Journal of Fluorine Chemistry, 1980, vol. 15, p. 245 - 252
[2] Journal of the Indian Chemical Society, 1982, vol. 59, # 2, p. 293 - 294
[3] Heterocycles, 1981, vol. 16, # 9, p. 1545 - 1553
[4] Journal of Medicinal Chemistry, 1979, vol. 22, # 11, p. 1385 - 1389
[5] Heterocycles, 1981, vol. 16, # 1, p. 71 - 76 |
| | 3',4'-Difluoroacetophenone Preparation Products And Raw materials |
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