Hydrocinnamonitrile
Hydrocinnamonitrile
CAS: 645-59-0
Molecular Formula: C9H9N
Hydrocinnamonitrile - Names and Identifiers
| Name | Hydrocinnamonitrile |
| Synonyms | Hydrocinnamonitrile Phenylpropionitrile 3-Phenylpropionitrile (2-Cyanoethyl)benzene DihydrocinnaMonitrile 3-Phenylpropanenitrile 1-Cyano-2-phenylethane 1-Phenyl-2-cyanoethane 3-Phenylpropanonitrile 3-Phenylpropiononitrile 3-phenylpropiononitrile 3-Phenylpropionitrile, (Hydrocinnamonitrile) |
| CAS | 645-59-0 |
| EINECS | 211-447-8 |
| InChI | InChI=1/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2 |
Hydrocinnamonitrile - Physico-chemical Properties
| Molecular Formula | C9H9N |
| Molar Mass | 131.17 |
| Density | 1.001g/mLat 25°C(lit.) |
| Melting Point | −2-−1°C(lit.) |
| Boling Point | 113°C9mm Hg(lit.) |
| Flash Point | >230°F |
| Solubility | 1.68g/l (calculated) |
| Appearance | Liquid |
| Specific Gravity | 1 |
| Color | Clear colorless to light yellow |
| Exposure Limit | NIOSH: IDLH 25 mg/m3 |
| BRN | 636348 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.521(lit.) |
| MDL | MFCD00001961 |
Hydrocinnamonitrile - Risk and Safety
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R36 - Irritating to the eyes R34 - Causes burns |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S27 - Take off immediately all contaminated clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 3276 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | MW5604750 |
| TSCA | Yes |
| HS Code | 29269095 |
| Hazard Class | 6.1 |
| Packing Group | II |
Hydrocinnamonitrile - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | phenylpropionitrile is a nitrile compound. Nitrile compounds are a class of organic compounds containing cyano (-CN), which are important intermediates in organic synthesis. Due to the high reactivity of cyano, the corresponding amine compounds can be prepared by hydrogenation reaction, which is an important raw material for the manufacture of medicines, pesticides, dyes, spices, surfactants, etc, it is widely used in various fields of the national economy. |
| preparation | add 10mL mg (9.5 mmol) of cuprous iodide to a dry 0.05 schlenk bottle, bipyridine 7.8mg(0.05mmol), and tetramethylpiperidine oxide 7.8mg(0.05mmol),2ml anhydrous EtOH, slowly add 3-phenylpropanol (1.0mmol),150uL ammonia water (2.0mmol,2.0eq), Stir at room temperature for 24h,TLC monitor the reaction, after completion of the reaction, column chromatography separation, get the target product, colorless liquid, yield 71%. |
Last Update：2024-04-09 20:52:54
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