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| | 5-Nitro-3-pyrazolecarboxylic acid Basic information |
| Product Name: | 5-Nitro-3-pyrazolecarboxylic acid | | Synonyms: | 5-NITRO-3-PYRAZOLECARBOXYLIC ACID;AKOS B006514;5-NITRO-3-PYRAZOLECARBOXYLIC ACID 98%;1H-Pyrazole-3-carboxylicacid,5-nitro-(9CI);TIMTEC-BB SBB004010;5-Nitro-3-pyrazolecarboxylic acid,98%;5-nitro-3-pyrazolecarboxylci acid;5(3)-Nitro-1H-pyrazole-3(5)-carboxylic acid | | CAS: | 198348-89-9 | | MF: | C4H3N3O4 | | MW: | 157.08 | | EINECS: | 607-884-2 | | Product Categories: | CARBOXYLICACID;Pyrazole series | | Mol File: | 198348-89-9.mol |  |
| | 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) |
| 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 60-65C. 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%). |
| | 5-Nitro-3-pyrazolecarboxylic acid Preparation Products And Raw materials |
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