4,6-Dinitro-1H-indazole

Base Information

• Chemical Name: 4,6-Dinitro-1H-indazole
• CAS No.: 62969-01-1
• Molecular Formula: C7H4N4O4
• Molecular Weight: 208.133
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60364857
• Wikidata: Q82149040
• ChEMBL ID: CHEMBL3973669

Synonyms:4,6-Dinitro-1H-indazole;62969-01-1;1H-Indazole,4,6-dinitro-;4,6-Dinitro-benzopyrazole;4,6-Dinitroindazole;2h-indazole,4,6-dinitro-;CHEMBL3973669;DTXSID60364857;MFCD00514202;STK757625;AKOS001702840;939671-31-5;AC-14831;CS-0319679;FT-0715105

Chemical Property of 4,6-Dinitro-1H-indazole

Chemical Property:

• Vapor Pressure: 4.82E-08mmHg at 25°C
• Refractive Index: 1.777
• Boiling Point: 455.3 °C at 760 mmHg
• Flash Point: 229.1 °C
• PSA: 120.32000
• Density: 1.752 g/cm³
• LogP: 2.42570
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 208.02325462
• Heavy Atom Count: 15
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

4,6-Dinitroindazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1NN=C2)[N+](=O)[O-])[N+](=O)[O-]
• General Description: 4,6-Dinitro-1H-indazole is a nitro-substituted indazole derivative that serves as a key intermediate in the synthesis of more complex heterocyclic compounds, such as 1-aryl-4,6-dinitro-1H-indazoyl-3-methylcarboxylates. Its structure allows for further functionalization, particularly through reactions involving diazonium salts and cyclization processes, enabling the development of novel indazole-based derivatives with potential applications in medicinal or materials chemistry.

Technology Process of 4,6-Dinitro-1H-indazole

There total 1 articles about 4,6-Dinitro-1H-indazole 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:

→ 2,4-dinitrotoluene (121-14-2) + 4,6-dinitro-1(2)H-indazole (62969-01-1)

Guidance literature:

With ethanol;

Refernces

Synthesis of 1-aryl-4,6-dinitro-1H-indazoyl-3-methylcarboxylates

10.1081/SCC-120002132

The study focuses on the synthesis of 1-aryl-4,6-dinitro-1H-indazoyl-3-methylcarboxylates, which are derived from 2,4,6-trinitrotoluene (TNT) derivatives. The researchers aimed to modify the 4,6-dinitroindazole structure by introducing a new substituent, leading to the development of a facile method for synthesizing methyl esters of 1-aryl-4,6-dinitro-1H-indazolyl-3-carboxylic acids. Key chemicals used in the study include TNT, which was converted into 2,4,6-trinitrophenylacetic acid, and then into methyl picrylacetate. Diazonium salts were reacted with this ester to form hydrazones, which underwent cyclization to yield the desired indazoles. The purpose of these chemicals was to facilitate the synthesis of new indazole derivatives, which were obtained in good yields and had their structures confirmed through microanalyses and NMR spectra.

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