2,3-DIFLUOROBENZOTRIFLUORIDE Chemical Properties

Boiling point:

115.9±35.0 °C(Predicted)

Density 

1.386±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,2-8°C

form 

liquid

color 

Clear, almost colourless

InChI

InChI=1S/C7H3F5/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H

InChIKey

CBOJZWDLNLMBLM-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

64248-59-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

F

Risk Statements 

10-36/37/38

Safety Statements 

26-36

RIDADR 

1993

Hazard Note 

Flammable

HazardClass 

3

PackingGroup 

III

HS Code 

2903998090

MSDS

• Language:English Provider:ALFA

2,3-DIFLUOROBENZOTRIFLUORIDE Usage And Synthesis

Uses

1,2-Difluoro-3-trifluoromethylbenzene

Synthesis

General procedure for the synthesis of 2,3-difluorobenzotrifluoride from 2-chloro-3-fluorobenzotrifluoride: First, 11,490 g of DMI (1,3-dimethyl-2-imidazolidinone) was added as a solvent to a reactor, followed by the addition of 20 L of fluoroalkyl compounds, 1,125 g of high-purity water, spray-dried KF (potassium fluoride), 35 g of 18-crown ether-6, and 805 g of toluene. Reduced pressure distillation was carried out to remove toluene and further purified using azeotropy with water. Subsequently, the clear grade fraction was dried with high purity nitrogen. 93.1% pure 3-fluoro-2-chlorobenzotrifluoride (134% dosage with toluene as solvent) was heated to 230°C and the reaction lasted for 8 hours. After completion of the reaction, distillation was carried out under reduced pressure (0.01 to 0.02 MPa) and the fractions from 44 to 46 °C were collected to give 1184.8 g of 2,3-difluorobenzotrifluoride, with a product purity of 98.9% and a yield of 95.9%.

References

[1] Patent: CN107488098, 2017, A. Location in patent: Paragraph 0030

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