| Identification | More | [Name]
3-Ethylbenzonitrile | [CAS]
34136-57-7 | [Synonyms]
3-ETHYLBENZONITRILE
NSC 86573 | [Molecular Formula]
C9H9N | [MDL Number]
MFCD00045601 | [Molecular Weight]
131.17 | [MOL File]
34136-57-7.mol |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
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 . | [RIDADR ]
3276 | [Hazard Note ]
Irritant | [HS Code ]
2926907090 |
| Hazard Information | Back Directory | [Definition]
ChEBI: 3-Ethylbenzonitrile is a member of benzenes and a nitrile. | [Synthesis]
General procedure for the synthesis of 3-ethylbenzonitrile from 3-bromoethylbenzene and zinc cyanide: 1-bromo-3-ethylbenzene (1.1 g), zinc cyanide (508 mg) and tetrakis(triphenylphosphine)palladium (333 mg) were dissolved in anhydrous toluene (8 mL) and degassed. The mixture was transferred to a sealed pressure tube under argon atmosphere and the reaction was stirred at 80°C for 12 hours. After completion of the reaction, the mixture was concentrated to dryness. The remaining residue was purified by column chromatography (silica gel as stationary phase and cyclohexane/ethyl acetate = 95:5 as eluent) to afford the target product 3-ethylbenzonitrile (470 mg, 62% yield). Mass spectrometry analysis showed [MH]+=132. | [References]
[1] Patent: US2006/173183, 2006, A1. Location in patent: Page/Page column 82
[2] Patent: US2005/272779, 2005, A1. Location in patent: Page/Page column 57
[3] Patent: WO2004/14881, 2004, A2. Location in patent: Page 99 |
|
|