5,6-Dinitro-1H-indazole

Base Information

• Chemical Name: 5,6-Dinitro-1H-indazole
• CAS No.: 59601-91-1
• Molecular Formula: C7H4 N4 O4
• Molecular Weight: 208.133
• European Community (EC) Number: 261-823-0
• NSC Number: 49913
• UNII: 7SQR4L6L95
• DSSTox Substance ID: DTXSID80208284
• Nikkaji Number: J298.190D
• Wikidata: Q83082385
• Mol file: 59601-91-1.mol

Synonyms:5,6-Dinitro-1H-indazole;5,6-dinitroindazole;59601-91-1;7SQR4L6L95;EINECS 261-823-0;NSC-49913;1H-Indazole,5,6-dinitro-;NSC49913;UNII-7SQR4L6L95;1H-Indazole, 5,6-dinitro-;SCHEMBL11680975;DTXSID80208284;NSC 49913;AKOS030239917;FT-0667581

Chemical Property of 5,6-Dinitro-1H-indazole

Chemical Property:

• Vapor Pressure: 7.07E-10mmHg at 25°C
• Melting Point: 234-235°C
• Boiling Point: 506.4°C at 760 mmHg
• Flash Point: 260°C
• PSA: 120.32000
• Density: 1.752g/cm³
• LogP: 2.42570
• Storage Temp.: Refrigerator
• XLogP3: 1.9
• 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

5,6-Dinitroindazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C=NNC2=CC(=C1[N+](=O)[O-])[N+](=O)[O-]
• Uses: 5,6-Dinitroindazole (cas# 59601-91-1) is a compound useful in organic synthesis.

Technology Process of 5,6-Dinitro-1H-indazole

There total 3 articles about 5,6-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: 84.0%

6-nitroindazole (7597-18-4) → 5,6-dinitro-1H-indazole (59601-91-1)

Guidance literature:

With sulfuric acid; potassium nitrate; at 0 - 20 ℃; for 16h;

DOI:10.1016/j.ejmech.2010.08.067

Reference yield: 28.6%

→ 5,6-dinitro-1H-indazole (59601-91-1)

Guidance literature:

Reference yield:

→ 5,6-dinitro-1H-indazole (59601-91-1)

Guidance literature:

With hydrogenchloride; sodium acetate; acetic acid;

upstream raw materials:

6-nitroindazole

Downstream raw materials:

5,6-dihydroxy-1H-indazole

5-nitro-8-phenyl-1,6-dihydropyrrolo[2,3-g]indazole

8-ethyl-5-nitro-7-phenyl-1-(tetrahydro-2H-pyran-2-yl)-1,6-dihydropyrrolo[2,3-g]indazole

7-ethyl-5-nitro-8-phenyl-1-(tetrahydro-2H-pyran-2-yl)-1,6-dihydropyrrolo[2,3-g]indazole