3,5-Difluoro-2-nitrophenol Chemical Properties

Melting point:

46.1-46.5

Boiling point:

241.6±35.0 °C(Predicted)

Density 

1.619±0.06 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

form 

crystalline solid

pka

2.60±0.20(Predicted)

color 

Yellow

InChI

InChI=1S/C6H3F2NO3/c7-3-1-4(8)6(9(11)12)5(10)2-3/h1-2,10H

InChIKey

LIQHPNDCQUCZKL-UHFFFAOYSA-N

SMILES

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

Safety Information

Hazard Codes 

Xi,T

Risk Statements 

25

Safety Statements 

45

Hazard Note 

Irritant

HS Code 

2908990000

3,5-Difluoro-2-nitrophenol Usage And Synthesis

Synthesis

(Step 1) Synthesis of 3,5-difluoro-2-nitrophenol: Dimethyl sulfoxide (DMSO, 50 mL) and 10 N sodium hydroxide solution (12 mL, 120 mmol) were added to a reaction flask, followed by 1,3,5-trifluoro-2-nitrobenzene (10.0 g, 56.5 mmol). The reaction mixture was stirred at room temperature for 15 hours. Upon completion of the reaction, water (100 mL) and ether (200 mL) were added for stratification. The aqueous layer was collected, acidified with 1 N hydrochloric acid and extracted with ether (2 x 200 mL). The organic phases were combined, dried with anhydrous magnesium sulfate, and the solvent was removed by distillation under reduced pressure. The crude product was purified by silica gel column chromatography using chloroform-ethyl acetate (10:1, v/v) as eluent to afford the title compound 3,5-difluoro-2-nitrophenol (7.97 g, 81% yield) as a yellow crystalline powder.1H-NMR (CDCl3) δ: 6.53-6.59 (m, 1H), 6.66-6.70 (m, 1H), and 10.87 (d, J = 1.2 Hz, 1H).

References

[1] Patent: EP1346982, 2003, A1

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