5-Bromo-2-fluorobenzoic acid Chemical Properties

Melting point:

141-145 °C (lit.)

Boiling point:

296.5±25.0 °C(Predicted)

Density 

1.789±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

2.88±0.10(Predicted)

color 

White to Light yellow to Light orange

Water Solubility 

Slightly soluble in water.

InChI

InChI=1S/C7H4BrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

InChIKey

PEXAZYDITWXYNJ-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC(Br)=CC=C1F

CAS DataBase Reference

146328-85-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

22

Safety Statements 

26

RIDADR 

UN 2811 6.1/PG 3

WGK Germany 

3

HazardClass 

IRRITANT

PackingGroup 

Ⅲ

HS Code 

29163990

MSDS

• Language:English Provider:SigmaAldrich

5-Bromo-2-fluorobenzoic acid Usage And Synthesis

Chemical Properties

White solid

Uses

5-Bromo-2-fluorobenzoic acid is used as a pharmaceutical and organic intermediate.

Synthesis

First, the sodium periodate solution was prepared: 7.7 g (36 mmol) of sodium periodate was dissolved in a solvent mixture of 40 ml of deionized water and 26 ml of acetic acid. Next, 10 g (71.4 mmol) of o-fluorobenzoic acid and 7.35 g (71.4 mmol) of sodium bromide were added to the reaction flask, followed by the addition of the prepared sodium periodate solution. The reaction system was heated to 30 °C and then 6.0 ml of concentrated sulfuric acid was added slowly and dropwise. After the dropwise addition, the temperature was raised to 50-65°C and maintained at this temperature for 2-3 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the completion of the reaction, the reaction solution was cooled to room temperature and poured into ice water. The precipitated solid was collected by filtration and the filter cake was washed several times with deionized water and dried to give 14.6 g of 2-fluoro-5-bromobenzoic acid in 87.9% yield.

References

[1] Journal of Organometallic Chemistry, 2008, vol. 693, # 18, p. 3081 - 3091
[2] Patent: CN107954852, 2018, A. Location in patent: Paragraph 0035-0037
[3] Patent: WO2017/46318, 2017, A1. Location in patent: Page/Page column 54

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