5-Nitro-3-pyrazolecarboxylic acid Chemical Properties

Melting point:

188-190 °C(lit.)

Boiling point:

509.6±35.0 °C(Predicted)

Density 

1.840±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

form 

solid

pka

3.22±0.10(Predicted)

color 

Slightly yellow

InChI

InChI=1S/C4H3N3O4/c8-4(9)2-1-3(6-5-2)7(10)11/h1H,(H,5,6)(H,8,9)

InChIKey

HKYHBMLIEAMWRO-UHFFFAOYSA-N

SMILES

N1C([N+]([O-])=O)=CC(C(O)=O)=N1

CAS DataBase Reference

198348-89-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

HazardClass 

IRRITANT

HS Code 

2933119000

5-Nitro-3-pyrazolecarboxylic acid Usage And Synthesis

Chemical Properties

off-white to light yellow crystalline powder

Uses

5-Nitro-1H-pyrazole-3-carboxylic acid was investigated for potential therapeutic properties on ocular blood flow and retinal function recovery after reperfusion injury and ischemic insult.

Synthesis

3-Methyl-5-nitrothiazole (0.18 mol) was dissolved in concentrated H2SO4 (300 mL) and Na2Cr2O7-2H2O (53 ) was added to the mixture. g, 0.27 mol) was added dropwise to this solution and the temperature was maintained at 60-65??C. The reaction mixture was kept at this temperature for 8 h. The reaction mixture was poured into ice (1 kg) and extracted with ethyl acetate (3 x 250 mL). The organic layer was washed with water, dried with MgSO4, the solvent was removed in vacuo and the residue was recrystallized from H2O to give 3-nitropyrazole-5-carboxylic acid in a yield of 25 g (88%).

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