4-nitro-1-(2-nitrophenyl)-1H-pyrazole

Base Information

• Chemical Name: 4-nitro-1-(2-nitrophenyl)-1H-pyrazole
• CAS No.: 62569-41-9
• Molecular Formula: C9H6N4O4
• Molecular Weight: 234.171
• DSSTox Substance ID: DTXSID90492839
• Wikidata: Q82339033
• Mol file: 62569-41-9.mol

Synonyms:4-nitro-1-(2-nitrophenyl)-1H-pyrazole;62569-41-9;DTXSID90492839;AKOS005167984;AKOS015922449

Chemical Property of 4-nitro-1-(2-nitrophenyl)-1H-pyrazole

Chemical Property:

• PSA: 109.46000
• LogP: 2.73510
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 234.03890469
• Heavy Atom Count: 17
• Complexity: 313

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N2C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 4-nitro-1-(2-nitrophenyl)-1H-pyrazole

There total 5 articles about 4-nitro-1-(2-nitrophenyl)-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:

o-nitrophenylhydrazine hydrochloride (6293-87-4) → 4-nitro-1-(2-nitro-phenyl)-1H-pyrazole (62569-41-9)

Guidance literature:

With water; nitromalondialdehyde sodium salt;

DOI:10.1039/jr9570003024

Reference yield:

1-(2-nitrophenyl)pyrazol (25688-17-9) → 4-nitro-1-(2-nitro-phenyl)-1H-pyrazole (62569-41-9)

Guidance literature:

With sulfuric acid; potassium nitrate;

Reference yield:

3,5-dimethyl-1-(2-nitrophenyl)-1H-pyrazole (29334-65-4) → 4-nitro-1-(2-nitro-phenyl)-1H-pyrazole (62569-41-9)

Guidance literature:

Multi-step reaction with 3 steps

1: KMnO₄

2: 280 °C

3: KNO₃; concentrated H₂SO₄

With potassium permanganate; sulfuric acid; potassium nitrate;

upstream raw materials:

1-(2-nitrophenyl)pyrazol

o-nitrophenylhydrazine hydrochloride

3,5-dimethyl-1-(2-nitrophenyl)-1H-pyrazole

1-(2-nitro-phenyl)-1H-pyrazole-3,5-dicarboxylic acid

Downstream raw materials:

5-Hydroxy-3-nitropyrazolo<1,5-a>chinoxalin-4-on

4-Nitro-1-(2-nitrophenyl)-5-(tosylmethyl)pyrazol

4-Nitro-1-(2-nitrophenyl)-5-(chlortosylmethyl)pyrazol