4-Nitropyrazole
- CAS NO.：2075-46-9
- Empirical Formula: C3H3N3O2
- Molecular Weight: 113.07
- MDL number: MFCD00159626
- EINECS: 212-146-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-11 16:58:07
What is 4-Nitropyrazole?
The Uses of 4-Nitropyrazole
4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson''s disease.
Synthesis
The process for synthesising 4-nitropyrazole started from the nitration reaction of pyrazole with mixed acid, followed by continuous quenching, neutralization, extraction and separation. After the collected organic phase was rotationally evaporated to recover the solvent, the final product 4-nitropyrazole was obtained with 96.9% yield, 99.3% purity and 381 g/h productivity.
Properties of 4-Nitropyrazole
| Melting point: | 160-164°C |
| Boiling point: | 323°C(lit.) |
| Density | 1.552±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | Crystalline Powder |
| pka | 9.63±0.50(Predicted) |
| color | White |
| λmax | 317nm(EtOH)(lit.) |
| InChI | InChI=1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5) |
| CAS DataBase Reference | 2075-46-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-NO2-pyrazole(2075-46-9) |
Safety information for 4-Nitropyrazole
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P501:Dispose of contents/container to..… |
Computed Descriptors for 4-Nitropyrazole
| InChIKey | XORHNJQEWQGXCN-UHFFFAOYSA-N |
| SMILES | N1C=C([N+]([O-])=O)C=N1 |
4-Nitropyrazole manufacturer
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