3,4-Difluorotoluene Chemical Properties

Boiling point:

110-113 °C(lit.)

Density 

1.12 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.45(lit.)

Flash point:

77 °F

storage temp. 

Sealed in dry,Room Temperature

form 

Liquid

Specific Gravity

1.120

color 

Colorless to Light yellow

Water Solubility 

Insoluble in water.

InChIKey

FZMPLKVGINKUJZ-UHFFFAOYSA-N

CAS DataBase Reference

2927-34-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

F

Risk Statements 

10

Safety Statements 

16-29-33

RIDADR 

UN 1993 3/PG 3

WGK Germany 

3

Hazard Note 

Flammable

HazardClass 

3

PackingGroup 

II

HS Code 

29039990

MSDS

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

3,4-Difluorotoluene Usage And Synthesis

Chemical Properties

colorless to light yellow liqui

Uses

Used as pharmaceutical intermediate.

Synthesis

The general procedure for the synthesis of p-fluorotoluene, 2-fluorotoluene, 3-fluorotoluene, 2,4-difluorotoluene, 2,5-difluorotoluene, and 1,2-difluoro-4-methylbenzene from toluene is as follows: to a glass reactor equipped with a PTFE-lined magnetic stirring bar connected to a gas scrubber bottle, toluene (0.95-1.14 mmol), acetonitrile (1-2.5 mL/mmol toluene), and a boron trifluoride ethyl ether complex (1.3-1.6 mmol/mmol toluene) were added. mmol toluene), acetonitrile (1-2.5 mL/mmol toluene) and boron trifluoride ethyl ether complex (1.3-1.6 mmol/mmol toluene). The reaction solution was stirred at -25°C for 10-15 minutes, followed by the addition of xenon difluoride (1.2-1.3 mmol/mmol toluene) in batches. The reaction mixture was slowly warmed to 22 °C over 1 h and stirring was continued for 40-60 min. Upon completion of the reaction, hexafluorobenzene was added as an internal standard and the sample was removed for 19F NMR analysis (Method B). The reaction mixture was quenched with saturated aqueous sodium bicarbonate and extracted with dichloromethane (1-2 mL). The organic extract was dried over anhydrous magnesium sulfate and analyzed by 19F NMR and GC/MS (Procedure C). The major products are listed in the table and the remaining products are shown below (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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