3,4,5-TRIFLUOROBENZOTRIFLUORIDE Chemical Properties

Boiling point:

98.1±35.0 °C(Predicted)

Density 

1.475±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

form 

liquid

color 

Clear, colourless

CAS DataBase Reference

80172-04-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

HazardClass 

IRRITANT

HS Code 

2903998090

MSDS

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3,4,5-TRIFLUOROBENZOTRIFLUORIDE Usage And Synthesis

Synthesis

The general procedure for the synthesis of 3,4,5-trichlorobenzotrifluoride from 3,4,5-trichlorobenzotrifluoride was as follows: 860 g of dried cyclobutanesulfone and 524 g of dried potassium fluoride (KF) were added to an autoclave followed by the addition of an appropriate amount of water. Next, 500 g of 3,4,5-trichlorobenzotrifluoride, 5 g of nitrobenzene and 25 g of CNC catalyst were added. After sealing the autoclave, the reaction mixture was heated to 200 °C and maintained for 5 hours, then warmed up to 220 °C to continue the reaction for 12 hours. The maximum total pressure was controlled at 9 bar during the reaction. Upon completion of the reaction, the mixture was cooled to 20 °C and the product was transferred to the cooled receiver by depressurization. Subsequently, the product was distilled at standard pressure. The crude product was redistilled to give 300 g of 3,4,5-trifluorobenzotrifluoride in 75% of the theoretical value and the product was a colorless liquid.

References

[1] Patent: US2006/9643, 2006, A1. Location in patent: Page/Page column 5

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