2,4-DIFLUORO-5-NITROBENZOIC ACID Chemical Properties

Melting point:

116-120°C

Boiling point:

344.4±42.0 °C(Predicted)

Density 

1.661

storage temp. 

Sealed in dry,Room Temperature

pka

2?+-.0.12(Predicted)

Appearance

Off-white to light brown Solid

InChI

InChI=1S/C7H3F2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)

InChIKey

MDFSGDMPHMKKGB-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC([N+]([O-])=O)=C(F)C=C1F

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

Hazard Note 

Irritant/Keep Cold

HS Code 

2916399090

2,4-DIFLUORO-5-NITROBENZOIC ACID Usage And Synthesis

Chemical Properties

light yellow powder

Synthesis

Step A: 2,4-difluorobenzoic acid (9.985 g, 63.2 mmol) was suspended in concentrated sulfuric acid (30 mL) at 0 °C and fuming nitric acid (30 mL) was slowly added dropwise for 30 minutes. The reaction mixture was then warmed to room temperature and stirring was continued for 16 hours. Upon completion of the reaction, the homogeneous reaction mixture was carefully poured into ice water and extracted with ethyl acetate. The organic phases were combined, washed sequentially with water, dried and finally concentrated under reduced pressure to afford 2,4-difluoro-5-nitrobenzoic acid (12.56 g, 98% yield) as a light yellow solid.

References

[1] Patent: US2004/77696, 2004, A1. Location in patent: Page/Page column 9
[2] Patent: WO2009/75960, 2009, A1. Location in patent: Page/Page column 21
[3] Patent: WO2004/13145, 2004, A1. Location in patent: Page 41
[4] Patent: WO2009/58919, 2009, A1. Location in patent: Page/Page column 21-22
[5] Patent: WO2009/58923, 2009, A1. Location in patent: Page/Page column 11

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