| Identification | More | [Name]
4-Fluoro-3-methoxybenzonitrile | [CAS]
243128-37-2 | [Synonyms]
4-FLUORO-3-METHOXYBENZONITRILE
BUTTPARK 22\01-64
3-Methoxy-4-Fluorobenzonitrile
Benzonitrile, 4-fluoro-3-methoxy-(9CI)
4-Fluoro-3-methoxybenzonitrile 99%
4-Fluoro-3-methoxybenzonitrile99% | [EINECS(EC#)]
607-355-6 | [Molecular Formula]
C8H6FNO | [MDL Number]
MFCD01569371 | [Molecular Weight]
151.14 | [MOL File]
243128-37-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
109 °C | [Boiling point ]
96-98°C 1,5mm | [density ]
1.18±0.1 g/cm3(Predicted) | [Fp ]
96-98°C/1.5mm | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Toluene | [form ]
powder to crystal | [color ]
White to Light yellow to Light orange | [BRN ]
2965042 | [CAS DataBase Reference]
243128-37-2(CAS DataBase Reference) |
| 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 . | [RIDADR ]
3439 | [Hazard Note ]
Toxic | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
White powder | [Synthesis]
Cu(TFA)2 (20 mmol) was added to a pressure-sealed tube containing 0.75 mL of DMSO with 4-fluoro-3-methoxyphenylacetic acid (0.5 mmol) and urea (1.5 mmol). The reaction system was oxygenated and stirred at 130 °C for about 20 h. The reaction process was monitored by TLC and GC (the exact reaction time was determined based on GC and TLC monitoring results). Upon completion of the reaction, the reaction was cooled to room temperature. To the reaction mixture, 20 mL of ethyl acetate was added and washed sequentially with NaHCO3 solution (20 mL x 2) and water. The organic phases were combined and dried over anhydrous sodium sulfate. The aqueous phase was then extracted with ethyl acetate (20 mL x 2) and all organic phases were combined. The solvent was removed by rotary evaporator to obtain the crude product. The crude product was purified by silica gel column chromatography with the eluent ratio of ethyl acetate:petroleum ether=50:1. 4-fluoro-3-methoxybenzonitrile was finally obtained in 84% yield. | [References]
[1] Patent: CN103772236, 2016, B. Location in patent: Paragraph 0021; 0022; 0023; 0054; 0055; 0056; 0057 |
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