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| | 2-Chloro-2',4'-difluoroacetophenone Basic information | | Description |
| Product Name: | 2-Chloro-2',4'-difluoroacetophenone | | Synonyms: | 2,4-difluorophenacyl chloride ,2-chloro-1-(2,4-difluorophenyl)ethanone;Chloromethyl(2,4-difluorophenyl) ketone;2-CHLORO-2',4'-DIFLUOROACETOPHEONE;2-Bhloro-2',4'-difluoroacetophenone;Ethanone,2-chloro-1-(2,4-difluorophenyl)-;2-Chloro-2',4'-difluoroacetophenone,98%;2-Chloro-2;[2-(2,4-difluorophenyl)-2-oxoethyl]chloranuide | | CAS: | 51336-94-8 | | MF: | C8H5ClF2O | | MW: | 190.57 | | EINECS: | 620-343-5 | | Product Categories: | Acetophenone series;Aromatics;Inhibitors;C7 to C8;Carbonyl Compounds;Ketones;blocks;FluoroCompounds;Benzene series | | Mol File: | 51336-94-8.mol |  |
| | 2-Chloro-2',4'-difluoroacetophenone Chemical Properties |
| Melting point | 44-48 °C(lit.) | | Boiling point | 240.9±25.0 °C(Predicted) | | density | 1.3544 (estimate) | | Fp | >230 °F | | storage temp. | Inert atmosphere,2-8°C | | solubility | Chloroform (Slightly) | | form | Solid | | color | Light Brown | | Sensitive | Lachrymatory | | BRN | 1943217 | | InChI | InChI=1S/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2 | | InChIKey | UENGBOCGGKLVJJ-UHFFFAOYSA-N | | SMILES | C(=O)(C1=CC=C(F)C=C1F)CCl | | CAS DataBase Reference | 51336-94-8(CAS DataBase Reference) |
| Hazard Codes | C,Xi | | Risk Statements | 34-37 | | Safety Statements | 26-36/37/39-45-25-27 | | RIDADR | UN 3261 8/PG 2 | | WGK Germany | 3 | | F | 10-21 | | Hazard Note | Corrosive/Irritant/Lachrymatory | | HazardClass | 8 | | PackingGroup | II | | HS Code | 29147000 | | Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | | Hazard Classifications | Acute Tox. 1 Inhalation
Acute Tox. 3 Oral
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1B
Skin Sens. 1A |
| | 2-Chloro-2',4'-difluoroacetophenone Usage And Synthesis |
| Description | 2-Chloro-2′,4′-difluoroacetophenone was used in the synthesis of allyl alcohol1. It can also be tested for inhibition of protein tyrosine phosphatases SHP-1 and PTP1B2.
| | Chemical Properties | white crystalline powder | | Uses | A α-haloacetophenone derivatives tested for inhibition of protein tyrosine phosphatases SHP-1 and PTP1B. | | Uses | 2-Chloro-2′,4′-difluoroacetophenone was used in the synthesis of allyl alcohol. | | Synthesis | In a 250 mL four-necked flask equipped with a thermometer, a constant pressure dropping funnel, and a reflux condenser (with a drying tube), 1,3-difluorobenzene (0.1 mol, 14.7 g) and anhydrous aluminum trichloride (0.17 mol, 22.7 g) were added. The mixture was stirred at 30-35°C for 0.5 hours. Subsequently, chloroacetyl chloride (0.12 mol, 13.56 g) was slowly added dropwise to maintain the reaction temperature. After the dropwise addition was completed, the temperature was raised to 50-55 °C and the reaction was continued with stirring until no hydrogen chloride gas escaped, a reaction time of about 5 hours. The reaction mixture was cooled to below 5°C in an ice-water bath, and acid hydrolysis was carried out by slowly dropping 3 mol/L hydrochloric acid (20 mL), controlling the rate of dropwise acceleration to keep the temperature of the mixture low. The acid-hydrolyzed mixture was poured into a beaker and distilled water was added to precipitate the solid. After filtration and drying under reduced pressure, 16.9 g of light yellow powdery solid was obtained in 89.3% yield. Finally, the light yellow powdery solid was recrystallized with hexane to give bright yellow crystalline 2'-chloro-2,4-difluoroacetophenone. | | References | [1] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003, vol. 42, # 2, p. 372 - 381
[2] Tetrahedron Asymmetry, 2010, vol. 21, # 13-14, p. 1649 - 1665
[3] Patent: CN106187924, 2016, A. Location in patent: Paragraph 0026; 0027
[4] Patent: CN102796080, 2016, B. Location in patent: Paragraph 0040-0042
[5] Journal of Organic Chemistry, 1995, vol. 60, # 10, p. 3000 - 3012 |
| | 2-Chloro-2',4'-difluoroacetophenone Preparation Products And Raw materials |
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