1,2-Dibromo-4,5-difluorobenzene Chemical Properties

Melting point:

33-35 °C (lit.)

Boiling point:

216.2±35.0 °C(Predicted)

Density 

2.1030 (rough estimate)

refractive index 

1.5151 (estimate)

Flash point:

112 °F

storage temp. 

Sealed in dry,Room Temperature

form 

powder to lump to clear liquid

color 

White or Colorless to Light yellow

Water Solubility 

insoluble

BRN 

1941132

InChI

InChI=1S/C6H2Br2F2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H

InChIKey

JTEZQWOKRHOKDG-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

64695-78-9(CAS DataBase Reference)

NIST Chemistry Reference

1,2-Dibromo-4,5-difluorobenzene(64695-78-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

10-36/37/38

Safety Statements 

16-26-36/37/39-24/25

RIDADR 

UN 1325 4.1/PG 2

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

4.1

PackingGroup 

III

HS Code 

29039990

MSDS

• Language:English Provider:1,2-Dibromo-4,5-difluorobenzene
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1,2-Dibromo-4,5-difluorobenzene Usage And Synthesis

Chemical Properties

white crystalline low melting mass

Uses

1,2-Dibromo-4,5-difluorobenzene has been used in the preparation of:

• 2,2′-dibromo-4,4′,5,5′-tetrafluorobiphenyl
• 2-(2,3-dibromo-5,6-difluorophenyl)propan-2-ol

Synthesis

General procedure for the synthesis of 1,2-dibromo-4,5-difluorobenzene from 1,2-difluorobenzene: First, 84 mg (1.5 mmol) of iron powder was homogeneously dispersed in 7.53 g (50 mmol) of 1,2-difluorobenzene and the temperature of the reaction system was adjusted to 20 °C. Subsequently, 18.4 g (115 mmol) of bromine was slowly added dropwise over a period of 50 min, during which the reaction temperature was maintained at about 20 °C. Upon completion of the dropwise addition, the reaction temperature was raised to 40 °C for 2 hours, followed by further raising the temperature to 50 °C to continue the reaction for 2 hours. Upon completion of the reaction, the mixture was cooled to room temperature and poured into an aqueous solution prepared from 25.2 g of sodium bicarbonate and 12.6 g of sodium sulfite dissolved in 100 mL of water. The reaction product was extracted with ethyl acetate and the organic phase was washed sequentially with water and saturated brine solution, followed by drying with magnesium sulfate. After filtration to remove the desiccant, the reaction was quantified by HPLC, which showed 94% yield of 1,2-dibromo-4,5-difluorobenzene.

References

[1] Patent: EP2940002, 2015, A1. Location in patent: Paragraph 0051; 0052
[2] Collection of Czechoslovak Chemical Communications, 1977, vol. 42, # 6, p. 2001 - 2017

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