3-Bromo-5-fluorobenzotrifluoride Chemical Properties

Boiling point:

138-139 °C (lit.)

Density 

1.511 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.456(lit.)

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

form 

Liquid or Low Melting Solid

color 

Colorless to yellow

InChI

InChI=1S/C7H3BrF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H

InChIKey

LIGBGEJPUQBLTG-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

130723-13-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-20/21/22

Safety Statements 

23-24/25-36-26

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29039990

Storage Class

12 - Non Combustible Liquids

MSDS

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

3-Bromo-5-fluorobenzotrifluoride Usage And Synthesis

Chemical Properties

Colorless to light yellow liquid

Uses

3-Bromo-5-fluorobenzotrifluoride (1-Bromo-3-fluoro-5-(trifluoromethyl)benzene) may be used in the preparation of:

• 6-(3-fluoro-5-trifluoromethylphenyl)-hex-5-ynoic acid methyl ester
• (E)-5-[1-(3-fluoro-5-trifluoromethylphenyl)-5-methoxycarbonyl-pent-1-enyl]-2-methoxy-3-methylbenzoic acid methyl ester
• (E)-3-[4-(3-fluoro-5-trifluoromethylphenyl)-4-(3,4-dimethoxyphenyl)-but-3-enyl]-oxazolidin-2-one
• (E)-5-[1-(3-fluoro-5-trifluoromethylphenyl)-4-(2-oxo-oxazolidin-3-yl)-but-1-enyl]-2-methoxy-3-methylbenzoic acid methyl ester

Synthesis

The precursor compound of aniline and 10 ml of 6M HCl were placed in a 200 ml beaker, the resulting suspension was heated for 5 min (heat gun), a solution of NaNO2 (393 mg, 5.7 mmol) in 3 ml of water was added dropwise to the reaction mixture at -5 ??C, the resulting clarified solution was carefully poured into a solution of NaI (2.43 g, 16.2 mmol) in 20 ml of water. The resulting clarified solution was carefully poured into a solution of NaI (2.43 g, 16.2 mmol) in 20 ml of water and the reaction mixture was stirred at room temperature for 10 h. The reaction mixture was extracted with CH2Cl2 and the combined organic layers were washed with 10% NaHSO3 solution, 2M NaOH solution and brine. The combined organic layer was dried with Na2SO4 and the combined organic layer was concentrated.

3-Bromo-5-fluorobenzotrifluoride(130723-13-6)Related Product Information

• 2-Chlorobenzotrifluoride
• 4-Bromotoluene
• 3-Fluorobenzotrifluoride
• 4-Fluorobenzotrifluoride
• 4-Bromobenzotrifluoride
• 2-Bromo-5-fluorotoluene
• 2-Methylbenzotrifluoride
• 1,4-Bis(trifluoromethyl)-benzene
• 2-Aminobenzotrifluoride
• 2-Fluorobenzotrifluoride
• Benzotrifluoride
• 3-Aminobenzotrifluoride
• 3-Bromobenzotrifluoride
• Fluorine
• 2-Bromo-5-fluorobenzotrifluoride 97%,2-Bromo-5-fluorobenzotrifluoride, 97+%,2-BROMO-5-FLUOROBENZOTRIFLUORIDE
• 2-Amino-3-bromo-5-fluorobenzotrifluoride, 98%
• Bromine
• 2-Amino-5-bromo-3-fluorobenzotrifluoride