| Identification | More | [Name]
4-Nitropyrazole | [CAS]
2075-46-9 | [Synonyms]
4-NITRO-1H-PYRAZOLE
4-NITROPYRAZOLE
AKOS B001469
ART-CHEM-BB B001469
TIMTEC-BB SBB000042
VITAS-BB TBB000667
1H-Pyrazole, 4-nitro-
4-nitro-1h-pyrazol
4-nitro-pyrazol
Pyrazole, 4-nitro-
4-Notropyrazole | [EINECS(EC#)]
212-146-4 | [Molecular Formula]
C3H3N3O2 | [MDL Number]
MFCD00159626 | [Molecular Weight]
113.07 | [MOL File]
2075-46-9.mol |
| Chemical Properties | Back Directory | [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) | [InChIKey]
XORHNJQEWQGXCN-UHFFFAOYSA-N | [SMILES]
N1C=C([N+]([O-])=O)C=N1 | [CAS DataBase Reference]
2075-46-9(CAS DataBase Reference) | [NIST Chemistry Reference]
4-NO2-pyrazole(2075-46-9) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R22:Harmful if swallowed.
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection . | [RTECS ]
UQ7880000 | [HazardClass ]
IRRITANT | [HS Code ]
29331990 |
| Hazard Information | Back Directory | [Description]
4-Nitropyrazole is a kind of low detonation velocity and high detonation pressure explosive, which has a promising future in the field of energetic materials. 4-Nitropyrazole is also used as raw material to synthesize 4-amino-3,5-dinitropyrazole, a useful intermediate for preparing trinitropyrazole. Currently, 4-nitro pyrazole is prepared by reacting with nitric acid, sulfuric acid, or nitric acid-trifluoroacetic anhydride mixtures. The reaction product contains a small amount of isomers of 4-nitropyrazole and some unknown by-products. To extend the application of 4-nitropyrazole, the crude product must be isolated and purified[1].
| [Uses]
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. | [References]
[1] Yüfang Wu. “Determination and thermodynamic modelling for 4-nitropyrazole solubility in (methanol + water), (ethanol + water) and (acetonitrile + water) binary solvent mixtures from T=(278.15 to 318.15) K.” Journal of Chemical Thermodynamics 103 (2016): Pages 276-284.
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