2-FLUORO-6-METHYLBENZONITRILE Chemical Properties

Melting point:

39-46 °C

Boiling point:

207.4±20.0 °C(Predicted)

Density 

1.11±0.1 g/cm3(Predicted)

Flash point:

91 °C

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

color 

White to Orange to Green

InChI

InChI=1S/C8H6FN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3

InChIKey

UCSKOUQDVWADGZ-UHFFFAOYSA-N

SMILES

C(#N)C1=C(C)C=CC=C1F

Safety Information

Hazard Codes 

Xi

Risk Statements 

37/38-41

Safety Statements 

26-39

RIDADR 

UN 3439 6.1/PG III

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

III

HS Code 

2926907090

2-FLUORO-6-METHYLBENZONITRILE Usage And Synthesis

Synthesis

The general procedure for the synthesis of 2-fluoro-6-methylbenzonitrile from 2-chloro-6-methylbenzonitrile was as follows: a mixture of 2-chloro-6-methylbenzonitrile (5 g, 33.0 mmol) and CsF (14 g, 92.2 mmol) in DMSO (30 ml) was heated and reacted for 15 hours at 140°C. After completion of the reaction, the mixture was cooled to room temperature, diluted with water and subsequently extracted with dichloromethane. The organic layer was washed with brine, dried over anhydrous sodium sulfate and concentrated to give the target product 2-fluoro-6-methylbenzonitrile (2.93 g, 66% yield).

References

[1] Patent: US6506747, 2003, B1

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