1-BROMO-4-FLUORO-2-NITROBENZENE Chemical Properties

Melting point:

37-39°C

Boiling point:

148-150°C 35mm

Density 

1.808±0.06 g/cm3(Predicted)

Flash point:

148-150°C/35mm

storage temp. 

Sealed in dry,Room Temperature

form 

powder to lump to clear liquid

color 

White or Colorless to Yellow to Green

BRN 

2364227

InChI

InChI=1S/C6H3BrFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H

InChIKey

XRXNWKIKQFEOGO-UHFFFAOYSA-N

SMILES

C1(Br)=CC=C(F)C=C1[N+]([O-])=O

CAS DataBase Reference

446-09-3(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36/37/39-36/37

RIDADR 

UN2811

Hazard Note 

Irritant

HazardClass 

6.1

PackingGroup 

III

HS Code 

29049090

MSDS

• Language:English Provider:ALFA

1-BROMO-4-FLUORO-2-NITROBENZENE Usage And Synthesis

Chemical Properties

light yellow powder

Synthesis

General procedure for the synthesis of 2-bromo-5-fluoronitrobenzene from 2-nitro-4-fluorobenzoic acid: 6.2 mg of silver sulfate, 36.3 mg of copper acetate, 12.5 mg of 2,9-dimethyl-1,10-o-phenanthroline, 37 mg of 2-nitro-4-fluorobenzoic acid, and 30.9 mg of sodium bromide were sequentially added to a Silak reactor tube fitted with a magnetic stirrer, followed by 4 mL of dimethyl sulfoxide as solvent. The reaction mixture was heated to 160°C under an oxygen atmosphere with continuous stirring for 24 hours. Upon completion of the reaction, distilled water was added to the reaction mixture to quench the reaction, followed by extraction with ethyl acetate three times at 10 mL each. the organic phases were combined, and 21.1 mg of 2-bromo-5-fluoronitrobenzene was obtained after concentration in 48% yield.

References

[1] Journal of Organic Chemistry, 2016, vol. 81, # 7, p. 2794 - 2803
[2] Patent: CN107325002, 2017, A. Location in patent: Paragraph 0067
[3] Organic and Biomolecular Chemistry, 2018, vol. 16, # 30, p. 5416 - 5421

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