304854-55-5
3-Bromo-5-chlorobenzonitrile
CAS: 304854-55-5
Molecular Formula: C7H3BrClN
304854-55-5 - Names and Identifiers
| Name | 3-Bromo-5-chlorobenzonitrile |
| Synonyms | 3-BroMo-5-chlorobenzonitile 3-Bromo-5-chlorobenzonitrile 3-BROMO-5-CHLOROBENZONITRILE Benzonitrile, 3-bromo-5-chloro- |
| CAS | 304854-55-5 |
| InChI | InChI=1/C7H3BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H |
| InChIKey | DRKWKPSNVQVDKZ-UHFFFAOYSA-N |
304854-55-5 - Physico-chemical Properties
| Molecular Formula | C7H3BrClN |
| Molar Mass | 216.46 |
| Density | 1.74±0.1 g/cm3(Predicted) |
| Melting Point | 70.7-71.1°C |
| Boling Point | 144 °C / 12mmHg |
| Flash Point | 100.2°C |
| Vapor Presure | 0.0345mmHg at 25°C |
| Appearance | White solid |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.623 |
| MDL | MFCD06200840 |
304854-55-5 - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 3439 |
| Hazard Class | IRRITANT |
| Packing Group | III |
304854-55-5 - Reference Information
| application | 3-bromo -5-chlorobenzonitrile can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process. |
| preparation | 1, 3-dibromo-5-chlorobenzene (10g, 37.34 mmol), pyridine (6.03 mL) and copper cyanide (I) (3.34g, the solution of 37.34 mmol) in DMF (57.74 mL) was refluxed under nitrogen for 2 days. TLC is difficult to monitor the reaction. When impurities are observed, the reaction is cooled to room temperature. Quenching the reaction mixture with 40mL of ether, filtering the precipitate and washing with ether (20mL × 2). The organic layer is washed with a mixture of water and concentrated ammonium hydroxide (2:1,40mL), saturated ammonium chloride solution (40mL × 2) and saturated sodium bicarbonate solution (40mL). The organic layer is dried and concentrated with anhydrous sodium sulfate. The residue was purified by column chromatography to give the compound 3-bromo-5-chlorobenzonitrile (2g,25%). |
Last Update：2024-04-09 15:16:35
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