1-FLUORO-3-IODO-5-NITROBENZENE Chemical Properties

Melting point:

77-79 °C (lit.)

Boiling point:

277.7±20.0 °C(Predicted)

Density 

2.093±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

soluble in Methanol

form 

Powder and/or Chunks

color 

Yellow to khaki or brown

Sensitive 

Light Sensitive

InChI

InChI=1S/C6H3FINO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H

InChIKey

MXPYCSFCKXSPAB-UHFFFAOYSA-N

SMILES

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

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

HS Code 

29049090

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich

1-FLUORO-3-IODO-5-NITROBENZENE Usage And Synthesis

Chemical Properties

yellow crystalline powder and chunks

Uses

1-Fluoro-3-iodo-5-nitrobenzene may be used in chemical synthesis.

Synthesis

In a Schlenk reaction tube equipped with a magnetic stirrer, 6.7 mg of palladium trifluoroacetate (Pd(TFA)2), 28.6 mg of cuprous oxide (Cu2O), 6.4 mg of potassium phosphate (K3PO4), 37 mg of 4-fluoro-2-nitrobenzoic acid, 36 mg of sodium iodide (NaI) and 194 mg of bismuth ammonium nitrate hydrate (Bi(NO3)3- 5H2O). The reaction mixture was heated to 170 °C under oxygen atmosphere with continuous stirring for 20 hours. Upon completion of the reaction, the reaction was quenched by the addition of an appropriate amount of distilled water, followed by extraction with ethyl acetate (10 mL each time) three times and combining the organic phases. The combined organic phases were concentrated to give 29.4 mg of 1-fluoro-3-iodo-5-nitrobenzene in 55% yield.

References

[1] Patent: CN107513020, 2017, A. Location in patent: Paragraph 0057-0058

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