2-Bromo-5-fluorotoluene Chemical Properties

Boiling point:

177 °C/756 mmHg (lit.)

Density 

1.495 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.526(lit.)

Flash point:

113 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

Difficult to mix.

form 

clear liquid

color 

Colorless to Light yellow to Light orange

Specific Gravity

1.495

Water Solubility 

INSOLUBLE

BRN 

1859121

InChI

InChI=1S/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3

InChIKey

RJPNVPITBYXBNB-UHFFFAOYSA-N

SMILES

C1(Br)=CC=C(F)C=C1C

CAS DataBase Reference

452-63-1(CAS DataBase Reference)

NIST Chemistry Reference

2-Bromo-5-fluorotoluene(452-63-1)

Safety Information

Hazard Codes 

Xi

Risk Statements 

10-36/37/38

Safety Statements 

16-26-36/37/39-37/39

RIDADR 

UN 1993 3/PG 3

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

3

PackingGroup 

III

HS Code 

29049090

MSDS

• Language:English Provider:2-Bromo-5-fluorotoluene
• Language:English Provider:SigmaAldrich
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2-Bromo-5-fluorotoluene Usage And Synthesis

Chemical Properties

colorless to light yellow liqui

Uses

2-Bromo-5-fluorotoluene is used to produce other chemicals. It can produce 2-Bromo-5-fluoro-benzoic acid. The reaction occurs with reagent KMnO4, solvent H2O and other condition of heating.

Synthesis

General procedure: The general procedure for the synthesis of 3,3'-dimethylbiphenyl, 2-bromo-5-fluorotoluene, 2-bromotoluene, and 2,4-dibromotoluene from toluene was as follows: boron trifluoride (TFB) was synthesized directly according to the literature methodology [7-9] before use. The corresponding aromatics (4 mmol) were dissolved in Freon R 113 (4.1 mL) and the solution was cooled to -25 °C. Under vigorous stirring, the corresponding TFB (2 mmol) was slowly added to the aryl hydrocarbon solution, followed by removal of the cooling bath. The reaction mixture was stirred at 45 °C for 5 hours. Upon completion of the reaction, the reaction mixture was treated with H2O and filtered to remove the metal fluoride precipitate. The liquid phase was treated with 10% NaNO2 aqueous solution to remove trace bromine and 30% CaCl2 aqueous solution to remove F- anions. Freon R 113 was removed from the organic phase by evaporation and the resulting product was purified by rapid chromatography on silica gel, the eluent being a hexane:EtOAc solvent mixture.

References

[1] Manfred Baumgarth, & Rolf Gericke. “A Concise and Efficient Synthesis of [2-Methyl-5-methylsulfonyl-4-(pyrrol-1-yl)benzoyl]guanidinium Methanesulfonate (Eniporide).” European Journal of Organic Chemistry 2000 12 (2000): 2253–2255.

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