2,4-Difluorobenzonitrile Chemical Properties

Melting point:

47-49 °C (lit.)

Boiling point:

189°C

Density 

1.246

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

Crystalline

color 

White to Almost white

BRN 

1940316

InChI

InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H

InChIKey

LJFDXXUKKMEQKE-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

3939-09-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,T,Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

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

RIDADR 

UN3439

WGK Germany 

3

Hazard Note 

Toxic

HazardClass 

6.1

HS Code 

29269090

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2,4-Difluorobenzonitrile Usage And Synthesis

Chemical Properties

white crystalline solid

Uses

2,4-Difluorobenzonitrile has been used in the synthesis of:

• 2-methylsulfonyl-4-fluorobenzylamine
• fluoro-3-amino-1,2-benzisoxazoles

General Description

2,4-Difluorobenzonitrile undergoes polycondensation with Bisphenol A and matrix-assisted laser desorption/time-of-flight mass spectra revealed a quantitative formation of cyclic oligoethers and polyethers.

Synthesis

General procedure for the synthesis of 2,4-difluorobenzonitrile from 2,4-difluorobenzamide: In a 250 mL three-necked flask, 2,4-difluorobenzamide (23.0 g, 146.2 mmol) was dissolved in dry N,N-dimethylformamide (80 mL), and cooled to -15°C. The reaction was continued for 0.5 h at room temperature. Phosphorus oxychloride (112.1 g, 730.9 mmol) was slowly added dropwise and the reaction was kept for 0.5 h. The reaction was then continued for 7 h at room temperature. Upon completion of the reaction, the reaction solution was slowly poured into a vessel containing ice to induce precipitation of solids. Finally, 17.0 g of 2,4-difluorobenzonitrile was obtained in 83.4% yield.

References

[1] Patent: CN106854165, 2017, A. Location in patent: Paragraph 0104; 0105; 0136; 0137

2,4-Difluorobenzonitrile(3939-09-1)Related Product Information

• 2,6-Difluorobenzonitrile
• 3,4-Difluorobenzonitrile
• Tetrachloroterephthalonitrile
• 3-Nitrophthalonitrile
• 2,4-Difluorophenylhydrazine
• BISMERTHIAZOL
• Ethyl nicotinate
• Benzonitrile