1-CHLORO-2,4-DIFLUOROBENZENE Chemical Properties

Melting point:

-26 °C

Boiling point:

127 °C (lit.)

Density 

1.353 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.475(lit.)

Flash point:

91 °F

storage temp. 

Sealed in dry,Room Temperature

form 

clear liquid

color 

Colorless to Almost colorless

Specific Gravity

1.353

BRN 

2081077

InChI

InChI=1S/C6H3ClF2/c7-5-2-1-4(8)3-6(5)9/h1-3H

InChIKey

AJCSNHQKXUSMMY-UHFFFAOYSA-N

SMILES

C1(Cl)=CC=C(F)C=C1F

CAS DataBase Reference

1435-44-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,F

Risk Statements 

10-36/37/38

Safety Statements 

16-26-36/37/39

RIDADR 

UN 1993 3/PG 3

WGK Germany 

2

Hazard Note 

Flammable

HazardClass 

3

PackingGroup 

III

HS Code 

29039990

MSDS

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

1-CHLORO-2,4-DIFLUOROBENZENE Usage And Synthesis

Chemical Properties

Clear colourless to light yellow liquid

Uses

1-Chloro-2,4-difluorobenzene was used in the preparation of series of benzonorbornadienes. It was also used in the preparation of difluoroarenes.

Synthesis

GENERAL STEPS: In a FEP or PFA reactor equipped with a PTFE-lined magnetic stir bar and connected to a gas scrubber bottle, substituted benzene (0.95-1.10 mmol), 1,1,1,3,3-pentafluorobutane (2 mL per mL of C6H5R), and BF3-Et2O (1.3-1.5 mmol/mmol C6H5R) were added. The reaction mixture was stirred at 0-5 °C (ice bath) for 10-15 min, followed by batchwise addition of XeF2 (1.2-1.3 mmol/mmol C6H5R). After each addition, the mixture was stirred for 3-5 min at 22-25 °C and re-cooled to 0-5 °C. After complete addition of XeF2, the dark-colored reaction solution was continued to be stirred at 22-25 °C for 15-30 min. Upon completion of the reaction, the reaction was quenched by the addition of 10% aqueous KHCO3, the organic layer was separated and filtered through a short column packed with silica gel (40-60 μm). The organic phase was dried with magnesium sulfate and analyzed by 19F NMR and GC/MS. The major products are listed in the table, and the other products are as follows (with GC/MS data).

References

[1] Russian Journal of Organic Chemistry, 2016, vol. 52, # 10, p. 1400 - 1407
[2] Zh. Org. Khim., 2016, vol. 52, # 10, p. 1412 - 1419,8

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