38858-89-8

Basic information

• Product Name: 3,5-DINITRO-1H-PYRAZOLE
• Synonyms: 3,5-DINITRO-1H-PYRAZOLE;3,5-Dinitropyrazole
• CAS NO: 38858-89-8
• Molecular Formula: C₃H₂N₄O₄
• Molecular Weight: 158.07
• Mol File: 38858-89-8.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 416.6°Cat760mmHg
• Flash Point: 205.8°C
• Appearance: /
• Density: 1.867g/cm³
• Vapor Pressure: 9.1E-07mmHg at 25°C
• Refractive Index: 1.676
• CAS DataBase Reference: 3,5-DINITRO-1H-PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DINITRO-1H-PYRAZOLE(38858-89-8)
• EPA Substance Registry System: 3,5-DINITRO-1H-PYRAZOLE(38858-89-8)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 38858-89-8(Hazardous Substances Data)

Usage

General Description

3,5-dinitro-1H-pyrazole is a chemical compound with the molecular formula C3H2N4O4. It is a nitro-substituted pyrazole derivative that is often used as a high-energy density material in explosives and propellants due to its high heat of explosion and stability. It is also used in the synthesis of other organic compounds and as a reagent in chemical reactions. 3,5-dinitro-1H-pyrazole is classified as a hazardous substance and should be handled with care due to its explosive nature and potential health hazards.

InChI:InChI=1/C3H2N4O4/c8-6(9)2-1-3(5-4-2)7(10)11/h1H,(H,4,5)

Upstream product

• 5720-05-8 4-methylphenylboronic acid 
• 38858-81-0 1,3-dinitro-1H-pyrazole 

Downstream Products

• 32683-48-0 1-methyl-3,5-dinitro-1H-pyrazole 
• 1241916-18-6 (4-fluorophenyl)(4-(5-methoxy-1H-pyrazol-3-ylamino)quinazolin-2-yl)methanone 

Relevant articles and documents

Lithium Nitropyrazolates as Potential Red Pyrotechnic Colorants

Strontium-based red pyrotechnic colorants have fallen into disrepute due to the harmful influence of this alkaline earth metal on adolescents. In this context, the energetic character, safety, and combustion to benign nitrogen gas of nitropyrazoles are used for the design of the corresponding lithiated materials, which are investigated as potential replacements in the current work. For this purpose, the lithium salts of 3,4-dinitro-1H-pyrazole, 3,5-dinitro-1H-pyrazole, 4-amino-3,5-dinitro-1H-pyrazole, 3,4,5-trinitro-1H-pyrazole, and 4-hydroxy-3,5-dinitro-1H-pyrazole were extensively characterized by standard analytical methods, low-temperature single-crystal X-ray diffraction, studies of the thermo-chemical behavior, and sensitivity assessments. Our assumption that the high nitrogen contents and the low oxygen balances of these compounds would adjust a cool, reductive flame atmosphere essential for red emissions by lithium was put to the test.

Isomers of Dinitropyrazoles: Synthesis, Comparison and Tuning of their Physicochemical Properties

Three isomeric dinitropyrazoles (DNPs) were synthesized starting from readily available 1H-pyrazole by slightly improved methods than described in the literature. 3,4-Dinitropyrazole (3), 1,3-dinitropyrazole (4), and 3,5-dinitropyrazole (5) were obtained and compared to each other with respect to thermal stability, crystallography, sensitivity and energetic performance. Two isomers (3 and 4) show high densities (1.79 and 1.76 g cm–3) and interesting thermal behavior as melt-castable materials (3: Tmelt.=71 °C, Tdec.=285 °C; 5: Tmelt. = 68 °C, Tdec.=171 °C). Furthermore, eight salts (sodium, potassium, ammonium, hydrazinium, hydroxylammonium, guanidinium, aminoguanidinium and 3,6,7-triamino-[1,2,4]triazolo[4,3-b][1,2,4]triazole (TATOT) of 3 and 5 were synthesized in order to tune performance and sensitivity values. These compounds were characterized using 1H, 13C, 14N, 15N NMR and IR spectroscopy as well as mass spectrometry, elemental analysis and thermal analysis through differential scanning calorimetry. Crystal structures of 14 compounds were obtained (3–7, 10–12 and 15–20) by low-temperature single crystal X-ray diffraction. Impact, friction and electrostatic discharge (ESD) values were also determined by standard methods. The sensitivity values range between 8.5 and 40 J for impact and 240 N and 360 N for friction and show mainly insensitive character. The energetic performances were determined using recalculated X-ray densities, heats of formation and the EXPLO5 code and support the energetic character of the title compounds. The calculated energetic performances (VD: 6245–8610 m s?1; pCJ: 14.1–30.8 GPa) were compared to RDX ((O2NNCH2)3).

COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR

Compounds of Formula (I) or a pharmaceutically acceptable salt, a solvate, a tautomer, an isomer or a deuterated analog thereof, wherein A, J, R1, R2, R3, R4, R5, R6, R7, R9, X, m and n are as described herein, compositions thereof, and methods and uses thereof.