4-Fluoro-3-methoxybenzonitrile

4-Fluoro-3-methoxybenzonitrile Property

Melting point:

109 °C

Boiling point:

96-98°C 1,5mm

Density 

1.18±0.1 g/cm3(Predicted)

Flash point:

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

Hazard Codes 

T,Xi,Xn

Risk Statements 

20/21/22-36/37/38-22

Safety Statements 

26-36/37/39-36/37-9

RIDADR 

3439

Hazard Note 

Toxic

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H301Toxic if swalloed

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H331Toxic if inhaled

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P405Store locked up.

P501Dispose of contents/container to..…

4-Fluoro-3-methoxybenzonitrile Chemical Properties,Usage,Production

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