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| | 3-CHLOROPHENACYL BROMIDE Basic information |
| Product Name: | 3-CHLOROPHENACYL BROMIDE | | Synonyms: | 3-CHLOROPHENACYL BROMIDE;2-BROMO-1-(3-CHLOROPHENYL)-1-ETHANONE;2-BROMO-3'-CHLOROACETOPHENONE;2-BROMO-(3-CHLOROPHENYL)-ETHANONE;2-bromo-1-(3-chlorophenyl)-ethanon;alpha-bromo-3-chloroacetophenone;m-Chlorophenacyl bromide;2-Bromo-m-chloroacetophenone | | CAS: | 41011-01-2 | | MF: | C8H6BrClO | | MW: | 233.49 | | EINECS: | | | Product Categories: | | | Mol File: | 41011-01-2.mol |  |
| | 3-CHLOROPHENACYL BROMIDE Chemical Properties |
| Melting point | 39 °C | | Boiling point | 122-124℃ | | density | 1.598±0.06 g/cm3(Predicted) | | Fp | 110 °C | | storage temp. | 2-8°C | | form | Solid | | Appearance | Off-white to yellow Solid | | Sensitive | Lachrymatory | | InChI | 1S/C8H6BrClO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2 | | InChIKey | KJVRURZDIOVSSQ-UHFFFAOYSA-N | | SMILES | Clc1cccc(c1)C(=O)CBr | | CAS DataBase Reference | 41011-01-2(CAS DataBase Reference) |
| Hazard Codes | C,Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36/37/39-39 | | RIDADR | UN 3335 | | WGK Germany | 3 | | Hazard Note | Corrosive/Lachrymatory/Keep Cold | | HazardClass | IRRITANT | | HazardClass | 9 | | HS Code | 2914790090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | | Hazardous Substances Data | 41011-01-2(Hazardous Substances Data) |
| | 3-CHLOROPHENACYL BROMIDE Usage And Synthesis |
| Uses | 2-Bromo-3'-chloroacetophenone acts as a Substrate used in a one-step preparation of symmetrical 1,4-diketones in the presence of Zn-I2. | | Synthesis | Molecular sieve-dried 3-chloroacetophenone (154.6 g, 1 mol) was added to a four-necked flask with anhydrous methanol (310 mL) under nitrogen protection. Bromine (158.2 g, 0.99 mol) was slowly added dropwise under continuous stirring in the temperature range of 30 °C to 45 °C. The dropwise addition was controlled to be completed within 1 h. The reaction was carried out in a controlled manner. After the dropwise addition was completed, the reaction mixture was kept at the same temperature and stirring was continued for 10 minutes. Subsequently, water (160 g) was added and the reaction solution was cooled to -10°C to promote crystal precipitation. The precipitate was collected by filtration to give 250 g of crude product. The crude product was dissolved in heptane (750 g), washed twice sequentially with water (200 g) and the organic phase was dried with anhydrous magnesium sulfate. The desiccant was removed by filtration, and the filtrate was concentrated to give 212.5 g of 2-bromo-3-chloroacetophenone in 91.0% yield, and no impurities were detected. | | References | [1] Tetrahedron, 1992, vol. 48, # 1, p. 67 - 78
[2] Journal of Medicinal Chemistry, 1992, vol. 35, # 16, p. 3045 - 3049
[3] Patent: US5717116, 1998, A
[4] Patent: US5831132, 1998, A
[5] Patent: EP2280000, 2011, A1. Location in patent: Page/Page column 40-41 |
| | 3-CHLOROPHENACYL BROMIDE Preparation Products And Raw materials |
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