| Identification | More | [Name]
3-Fluoro-4-methoxybenzonitrile | [CAS]
331-62-4 | [Synonyms]
3-FLUORO-4-METHOXYBENZONITRILE
Fluoromethoxybenzonitrile5
3-Fluoro-4-methoxybenzonitrile 98%
3-Fluoro-4-methoxybenzonitrile98%
4-FLUORO-3-METHOXYBENZONITRILE, 98+%
4-Cyano-2-fluoroanisole | [Molecular Formula]
C8H6FNO | [MDL Number]
MFCD00215835 | [Molecular Weight]
151.14 | [MOL File]
331-62-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
97-101 °C | [Boiling point ]
96-98°C/1mm | [density ]
1.18±0.1 g/cm3(Predicted) | [Fp ]
96-98°C/1mm | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [color ]
White to Almost white | [InChIKey]
FEEOVAOEPGQDTJ-UHFFFAOYSA-N | [CAS DataBase Reference]
331-62-4(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 ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
3439 | [WGK Germany ]
3 | [Hazard Note ]
Toxic | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless solid | [Synthesis]
General procedure for the synthesis of 3-fluoro-4-methoxybenzonitrile from 2-fluoro-4-bromoanisole: 20 g of 2-fluoro-4-bromoanisole and 9.8 g of copper cyanide were dissolved in 100 mL of dimethylformamide, and the reaction was carried out at reflux with heat for 10 hours. Upon completion of the reaction, an aqueous solution of 20 g of ferric chloride dissolved in 100 mL of water was added to the reaction mixture. The reaction mixture was cooled to room temperature and the target product was extracted with toluene. The organic layer was washed sequentially with water, saturated aqueous sodium carbonate solution and saturated aqueous table salt solution. After separation of the organic layer, the extract was dried with anhydrous sodium sulfate, followed by distillation to remove the solvent. The crude product was purified by silica gel column chromatography (unfolding reagent ratio hexane:ethyl acetate=10:1) and further recrystallized with ethanol. Finally 10.0 g of 3-fluoro-4-methoxybenzonitrile was obtained in 68% yield. | [References]
[1] Patent: US4997942, 1991, A |
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