2-phenylpropanenitrile
alpha-Methylbenzyl cyanide
CAS: 1823-91-2
Molecular Formula: C9H9N
2-phenylpropanenitrile - Names and Identifiers
2-phenylpropanenitrile - Physico-chemical Properties
| Molecular Formula | C9H9N |
| Molar Mass | 131.17 |
| Density | 0.985g/mLat 25°C(lit.) |
| Melting Point | 210 °C(Solv: ethyl ether (60-29-7); chloroform (67-66-3)) |
| Boling Point | 231 °C |
| Flash Point | 201°F |
| Solubility | Chloroform |
| Vapor Presure | 0.0311mmHg at 25°C |
| Appearance | Oil |
| Color | Clear Pale Yellow |
| Exposure Limit | NIOSH: IDLH 25 mg/m3 |
| BRN | 774576 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.5106(lit.) |
| MDL | MFCD00001871 |
2-phenylpropanenitrile - 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. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 3276 6.1/PG 3 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29269090 |
| Hazard Class | 6.1 |
| Packing Group | III |
2-phenylpropanenitrile - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| overview | α-methylbenzonitrile, also known as 2-phenylpropiononitrile, is an organic synthesis intermediate and a pharmaceutical intermediate. it can be used to synthesize 2-phenylpropionic acid in the research and development process of pharmaceutical and chemical industry, which is widely used in the synthesis of medicine, perfume and pesticide. |
| Application Example | α-methylbenzonitrile can be used to prepare 2-phenylpropionic acid. CN201410527921.3 reported a synthetic method of 2-phenylpropionic acid, which belongs to the field of medicine. α-methylbenzonitrile undergoes alkaline hydrolysis and acidification to obtain 2-phenylpropionic acid. The crude product is distilled under reduced pressure at 3mmHg to obtain high-purity 2-phenylpropionic acid with HPLC purity greater than 99%. Avoid using precious metal complexes during the whole reaction process, and the process is simple and easy to operate. |
| preparation | CN201811310926.5 provides a methylation method of phenylacetonitrile based on pressure rectification technology, which includes the following steps: 1), after mixing phenylacetonitrile, sodium alkoxide and dimethyl carbonate (dimethyl carbonate also serves as methylation reagent and solvent) in a molar ratio of 1:0.1 to 0.4:4 to 10, react at a pressure of 2±0.2MPa and a reaction temperature of 160~200 ℃ for 4~8h;2) After the reaction is finished, the temperature is reduced (100±5 ℃) until atmospheric distillation is carried out first, then reduced pressure distillation (20mmHg) is carried out, and the fraction at 108~113 ℃ is collected to obtain α-methylbenzonitrile as a product. |
Last Update：2024-04-09 21:01:54
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CAS: 1823-91-2
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