20780-53-4
(r)-phenyloxirane
CAS: 20780-53-4
Molecular Formula: C8H8O
20780-53-4 - Names and Identifiers
| Name | (r)-phenyloxirane |
| Synonyms | (R)-EPOXYSTYROL 2-phenyloxirane (r)-styrene oxide (R)-PHENYLOXIRANE (R)-STYRENE OXIDE (r)-phenyloxirane (2S)-2-phenyloxirane (2R)-2-phenyloxirane (R)-(+)-PHENYLOXIRANE (R)-(+)-STYRENE OXIDE (R)-(+)-Styrene Oxide (R)-PHENYLETHYLENE OXIDE (R)-(+)-1,2-EPOXYETHYLBENZENE (R)-Phenyloxirane(R)-Styrene oxide,(R)-Epoxystyrol |
| CAS | 20780-53-4 |
| EINECS | 606-637-6 |
| InChI | InChI=1/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m1/s1 |
| InChIKey | AWMVMTVKBNGEAK-QMMMGPOBSA-N |
20780-53-4 - Physico-chemical Properties
| Molecular Formula | C8H8O |
| Molar Mass | 120.15 |
| Density | 1.051g/mLat 25°C(lit.) |
| Melting Point | -37 °C |
| Boling Point | 89-90°C23mm Hg(lit.) |
| Specific Rotation(α) | -21 º (c=5, chloroform 23 ºC) |
| Flash Point | 175°F |
| Water Solubility | insoluble |
| Solubility | Chloroform |
| Vapor Presure | 0.633mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear yellow |
| BRN | 1984 |
| Storage Condition | 2-8°C |
| Explosive Limit | ~22% |
| Refractive Index | n20/D 1.535 |
| Physical and Chemical Properties | Density 1.053 melting point -37°C boiling point 192-195°C refractive index 1.532-1.536 flash point 79°C specific rotation -21 ° (c = 5, chloroform 23°C) water-soluble insoluble |
20780-53-4 - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | R45 - May cause cancer R21 - Harmful in contact with skin R36 - Irritating to the eyes |
| Safety Description | S53 - Avoid exposure - obtain special instructions before use. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | 2810 |
| WGK Germany | 3 |
| RTECS | CZ9625010 |
| FLUKA BRAND F CODES | 10 |
| HS Code | 29109000 |
| Hazard Class | 6.1 |
| Packing Group | III |
20780-53-4 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| production method | 1. Tobacco: BU,56. 2. Preparation method: 450ml of chloroform was added to a reaction flask equipped with a stirrer and a thermometer, and 42g(0.3mol) of peroxybenzoic acid was stirred and dissolved. The ice-salt bath was cooled to below 0 °c and 30g(0.19mol) of styrene (2) was added. The reaction was stirred for 1H and kept at 0 °c for 24h. There is only a small amount of peroxybenzoic acid in the reaction solution (a certain volume of the reaction solution can be taken to react with the acidic potassium iodide solution, and then the standard sodium thiosulfate titration is used to prove it). The reaction solution was washed with an excess of 10% sodium hydroxide solution to remove the generated benzoic acid, then washed with water to remove alkali, dried over anhydrous magnesium sulfate, fractionated, and then fractionated under reduced pressure after removing chloroform, the fraction of 101 ° C./5.3kPa was collected to obtain 25g of styrene (1) in a yield of 72%. [1] 3. Preparation Method: In the reaction flask equipped with stirrer, thermometer, reflux condenser, add 0.25g tetrabutylammonium iodide, benzaldehyde (2)5.3g(0.05mol, washed with sodium carbonate solution in advance, to remove the possible presence of benzoic acid), dichloromethane 50ml. 50ml (50%) of aqueous sodium hydroxide solution are added, followed by 10.2g(0.05mol) of powdered trimethylphosphonium iodide. Oil bath heating was maintained at 55 °c for 60H. After completion of the reaction, the reaction was poured into crushed ice. The base layer was separated and the aqueous layer was extracted with dichloromethane. The organic layers were combined, washed with water (20ml x 4), saturated sodium bisulfite solution (10ml x 2) and water (20ml x 2), and dried over anhydrous calcium phosphate. Dichloromethane was distilled off, and the fraction at 191-192 ° C. Was collected by distillation to obtain 4.7g (yield: 78%) of phenyloxirane (1). [2] |
Last Update：2024-04-09 20:52:54
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