3-bromobutan-2-one
3-bromobutan-2-one
CAS: 814-75-5
Molecular Formula: C4H7BrO
3-bromobutan-2-one - Names and Identifiers
| Name | 3-bromobutan-2-one |
| Synonyms | 3-Bromobutan-2-one 2-BROMO-3-BUTANONE 3-bromobutan-2-one 3-BROMO-2-BUTANONE 3-Bromobutane-2-one 2-Butanone, 3-bromo- (3R)-3-bromobutan-2-one (3S)-3-bromobutan-2-one (3S)-3-bromo-2-butanone (+-)-alpha-bromoethylmethylketone 1-Bromoethyl methyl ketone, 2-Bromo-3-oxobutane |
| CAS | 814-75-5 |
| EINECS | 212-404-6 |
| InChI | InChI=1/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3/t3-/m0/s1 |
3-bromobutan-2-one - Physico-chemical Properties
| Molecular Formula | C4H7BrO |
| Molar Mass | 151 |
| Density | 1.416 g/mL at 25 °C |
| Boling Point | 36 °C (11 mmHg) |
| Flash Point | >100°C |
| Solubility | Miscible with dichloromethane. |
| Vapor Presure | 5.84mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear light yellow to brown |
| BRN | 906773 |
| Refractive Index | 1.458-1.46 |
| Physical and Chemical Properties | Boiling point of 36 degrees C (1.46kPa). |
3-bromobutan-2-one - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R34 - Causes burns R21/24 - R21/22 - Harmful in contact with skin and if swallowed. |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | 1224 |
| WGK Germany | 2 |
| RTECS | EL7005000 |
| TSCA | Yes |
| HS Code | 29147000 |
| Hazard Class | 8 |
| Packing Group | III |
3-bromobutan-2-one - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | pharmaceutical intermediates. |
| production method | is derived from the bromination of butanone-[2]. Butanone-[2], potassium chlorate and water were added to the reaction pot, heated to 36 °c, bromine was added dropwise under stirring, the temperature rose to 38 °c, and the addition was completed for about 3 hours. Heat preservation and stirring were continued for 1H. The mixture was allowed to stand and layered, and the lower organic phase was washed with magnesium chloride and water, dried, and fractionated under reduced pressure. The fraction was collected at 81 ° C. To 90 ° C. (20kPa), and the final product was obtained. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LDL0: 50 mg/kg |
| flammability hazard characteristics | flammable; Thermally decomposed toxic bromide gas |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Separate from oxidant and food |
| fire extinguishing agent | carbon dioxide, dry powder, sand |
Last Update：2024-04-10 22:29:15
