| Identification | More | [Name]
3-METHYL-4-NITROBENZONITRILE | [CAS]
96784-54-2 | [Synonyms]
3-METHYL-4-NITROBENZONITRILE
4-NITRO-M-TOLUNITRILE | [Molecular Formula]
C8H6N2O2 | [MDL Number]
MFCD00017615 | [Molecular Weight]
162.15 | [MOL File]
96784-54-2.mol |
| Safety Data | Back Directory | [Hazard Codes ]
T,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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing . | [RIDADR ]
3439 | [Hazard Note ]
Toxic | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
2926907090 |
| Hazard Information | Back Directory | [Uses]
3-Methyl-4-nitrobenzonitrile is used to produce 4-amino-3-methyl-benzonitrile. | [Synthesis]
General procedure for the synthesis of 3-methyl-4-nitrobenzonitrile from 3-methyl-4-nitrobenzamide: 3-methyl-4-nitrobenzamide (5 g, 28 mmol) was dissolved in 300 ml of toluene under stirring conditions, followed by the slow addition of phosphorus oxychloride (POCl3, 22 g, 140 mmol). After the addition was completed, the reaction mixture was heated to reflux for 24 hours. Upon completion of the reaction, the mixture was carefully poured into ice water and extracted three times with ethyl acetate. The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure. Finally, the residue was purified by ethanol recrystallization to afford the target product 3-methyl-4-nitrobenzonitrile (3.2 g, 70% yield). | [References]
[1] Patent: WO2014/172871, 2014, A1. Location in patent: Page/Page column 88
[2] Justus Liebigs Annalen der Chemie, 1867, vol. 144, p. 182
[3] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1973, p. 2940 - 2948
[4] Patent: US5034410, 1991, A |
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