769-68-6
2-Phenylbutyronitrile
CAS: 769-68-6
Molecular Formula: C10H11N
769-68-6 - Names and Identifiers
| Name | 2-Phenylbutyronitrile |
| Synonyms | -Phenylbutyronitrile 2-Phenylbutyronitrile 2-phenylbutanenitrile Butanenitrile, 2-phenyl DL-2-phenylbutyronitrile a-Ethylphenylacetonitrile (2R)-2-phenylbutanenitrile (2S)-2-phenylbutanenitrile alpha-ethyl-benzeneacetonitril .alpha.-ethyl-Benzeneacetonitrile Benzeneacetonitrile,alpha.-ethyl- |
| CAS | 769-68-6 |
| EINECS | 212-213-8 |
| InChI | InChI=1/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3/t9-/m1/s1 |
769-68-6 - Physico-chemical Properties
| Molecular Formula | C10H11N |
| Molar Mass | 145.2 |
| Density | 0.974g/mLat 25°C(lit.) |
| Boling Point | 114-115°C15mm Hg(lit.) |
| Flash Point | 221°F |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.0457mmHg at 25°C |
| Appearance | Oil |
| Specific Gravity | 0.974 |
| Color | Colourless |
| Storage Condition | Refrigerator, under inert atmosphere |
| Refractive Index | n20/D 1.5086(lit.) |
| MDL | MFCD00001876 |
| Physical and Chemical Properties | Colorless liquid. Boiling point 238-240 °c, 141-143 °c (1.06kPa),114-115 °c (0.2kPa). Soluble in benzene, ether, ethanol. |
769-68-6 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | 36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | 3276 |
| WGK Germany | 3 |
| TSCA | Yes |
| Hazard Class | 6.1 |
| Packing Group | III |
769-68-6 - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | is useful as a pharmaceutical intermediate. |
| production method | obtained by condensation reaction of phenylacetonitrile and bromoethane. The temperature of the benzene solution of sodium ammonia was controlled at 15-20 ° C., phenylacetonitrile was added, and bromoethane was added dropwise while maintaining the same temperature range. After addition, the mixture was heated and refluxed for 4H. The mixture was allowed to stand by adding water, the benzene layer was separated, and after the benzene was recovered, vacuum distillation was carried out to collect a fraction at 120-150 ° C. (0.2kPa), which was 2-phenylbutyronitrile. The yield was about 90%. |
Last Update：2024-04-09 21:54:55
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