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HomeProduct name list4-Nitropyrazole

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: 2024-10-30 18:52:02
4-Nitropyrazole Structural

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)
ghs
Corrosion
Corrosives
GHS05
ghs
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

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