3-Bromo-4-fluorotoluene Chemical Properties

Boiling point:

169 °C/756 mmHg (lit.)

Density 

1.507 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.531(lit.)

Flash point:

164 °F

storage temp. 

Sealed in dry,Room Temperature

form 

Liquid

Specific Gravity

1.52

color 

Clear colorless to light yellow

BRN 

1680604

InChI

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

InChIKey

QLRKALMVPCQTMU-UHFFFAOYSA-N

SMILES

C1(F)=CC=C(C)C=C1Br

CAS DataBase Reference

452-62-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29039990

MSDS

• Language:English Provider:3-Bromo-4-fluorotoluene
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3-Bromo-4-fluorotoluene Usage And Synthesis

Chemical Properties

colorless to light yellow liqui

Uses

3-Bromo-4-fluorotoluene was employed as starting reagent in the synthesis of [4-fluoro-3-(trimethylsilyl)benzyl]guanidine. It was also employed as benzyne precursor in the synthesis of 6-methyl-1,2,3,4-tetrahydro-2,3-(benzylidenedioxy)-1,4-ethenonapthalene.

Synthesis

Example 4: 84 g of 2-bromo-4-methylaniline and 54.5 g of isobutyl nitrite were slowly added dropwise through two dropping funnels, respectively, to a solution of 160 g of dimethoxyethane containing 37 g of boron trifluoride and 10.3 g of hydrogen fluoride at a temperature of -5°C to 0°C (the dropping process lasted for 1 hour). After the dropwise addition, the reaction mixture was continued to be stirred at 0°C for 15 min, followed by diafiltration. The resulting crystalline diazonium salt was washed with 50 mL of pre-cooled dimethoxyethane and then dried under vacuum at room temperature. A diazonium salt product of 122.5 g was obtained in a yield of 86% of the theoretical value. The decomposition reaction was carried out according to the method of Example 6, resulting in 3-bromo-4-fluorotoluene in 92.4% yield of the theoretical value.

References

[1] Patent: US4476320, 1984, A

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