1,4-dinitro-1H-pyrazole

Base Information

• Chemical Name: 1,4-dinitro-1H-pyrazole
• CAS No.: 35852-77-8
• Molecular Formula: C3H2N4O4
• Molecular Weight: 158.07200
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00428301
• Wikidata: Q82241122
• Mol file: 35852-77-8.mol

Synonyms:1H-Pyrazole,1,4-dinitro;1,4-dinitro-1H-pyrazole;

Chemical Property of 1,4-dinitro-1H-pyrazole

Chemical Property:

• PSA: 109.46000
• LogP: 0.87750
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 158.00760456
• Heavy Atom Count: 11
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

MC019922:1,4-Dinitro-1H-pyrazole 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NN1[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1,4-dinitro-1H-pyrazole

There total 4 articles about 1,4-dinitro-1H-pyrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

4-nitro-1H-pyrazole (2075-46-9) → 1,4-dinitropyrazole (35852-77-8)

Guidance literature:

With Nitrogen dioxide; ozone; In dichloromethane; at 0 ℃; for 1.5h;

Reference yield: 75.0%

NH-pyrazole (288-13-1) → 1,4-dinitropyrazole (35852-77-8)

Guidance literature:

With ammonium nitrate; trifluoroacetic acid; trifluoroacetic anhydride; for 18h; Ambient temperature;

Reference yield:

1-nitro-1H-pyrazole (7119-95-1) → 1,4-dinitropyrazole (35852-77-8)

Guidance literature:

With dinitrogen pentoxide; H-faujasite zeolite F-780; In dichloromethane; at 0 ℃; Kinetics;

DOI:10.1039/b0069981

upstream raw materials:

NH-pyrazole

4-nitro-1H-pyrazole

1-nitro-1H-pyrazole

Downstream raw materials:

3-methoxy-4-nitro-1H-pyrazole

Refernces

• 1、 Zhao, Ji-Ping,Ding, Lu-jia,Wang, Peng-Cheng,Liu, Ying,Huang, Min-Jun,Zhou, Xin-Li,Lu, Ming. "Electrochemical Nonacidic N-Nitrosation/N-Nitration of Secondary Amines through a Biradical Coupling Reaction". supporting information. p. 5036 - 5043. Retrieved 2020/07/13.
• 2、 -. "PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES". Page/Page column 134. . Retrieved 2008/06/13.