1-Methyl-7-nitro-1H-indazole

Base Information

• Chemical Name: 1-Methyl-7-nitro-1H-indazole
• CAS No.: 58706-36-8
• Molecular Formula: C8H7N3O2
• Molecular Weight: 177.162
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10207407
• Nikkaji Number: J2.212.893K
• Wikidata: Q83081310
• ChEMBL ID: CHEMBL354723
• Mol file: 58706-36-8.mol

Synonyms:1-Methyl-7-nitro-1H-indazole;58706-36-8;1-methyl-7-nitroindazole;1-methyl-7-nitro-indazole;1H-Indazole, 1-methyl-7-nitro-;CHEMBL354723;1(c)\methyl(c)\7(c)\nitro(c)\1H(c)\indazole;7-nitro-1-methylindazole;1-Methyl-7-nitroisoindazole;SCHEMBL13184167;DTXSID10207407;AMY34632;BDBM50240903;MFCD09832095;AKOS006327677;PB48512;CS-0052430;P15310;A831985;J-504985

Chemical Property of 1-Methyl-7-nitro-1H-indazole

Chemical Property:

• Vapor Pressure: 0.000274mmHg at 25°C
• Melting Point: 99-100 °C
• Boiling Point: 332.9°Cat760mmHg
• PKA: -1.14±0.30(Predicted)
• Flash Point: 155.1°C
• PSA: 63.64000
• Density: 1.42g/cm³
• LogP: 2.00470
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.053826475
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Methyl-7-nitro-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=CC=C2[N+](=O)[O-])C=N1

Technology Process of 1-Methyl-7-nitro-1H-indazole

There total 5 articles about 1-Methyl-7-nitro-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: 97.0%

7-Nitroindazole (2942-42-9) + methyl iodide (74-88-4) → 1‐methyl‐7‐nitro‐1H‐indazole (58706-36-8)

Guidance literature:

With potassium hydroxide; In acetone; at 0 ℃;

DOI:10.1016/j.tetlet.2005.06.080

Reference yield: 56.0%

7-Nitroindazole (2942-42-9) + methyl iodide (74-88-4) → 1‐methyl‐7‐nitro‐1H‐indazole (58706-36-8) + 2-methyl-7-nitro-2H-indazole (13436-58-3)

Guidance literature:

With potassium hydroxide; In acetone; at 20 ℃; for 24h;

DOI:10.1080/17415993.2014.966105

Reference yield: 41.0%

dimethyl sulfate (77-78-1) + 7-Nitroindazole (2942-42-9) → 1‐methyl‐7‐nitro‐1H‐indazole (58706-36-8) + 2-methyl-7-nitro-2H-indazole (13436-58-3)

Guidance literature:

With potassium hydroxide; water; at 75 ℃; for 0.5h;

upstream raw materials:

dimethyl sulfate

7-Nitroindazole

methyl iodide

2-Methyl-6-nitroaniline

Downstream raw materials:

7-amino-1-methyl-1H-indazole

4-methoxy-N-(1-methyl-1H-7-indazolyl)-benzenesulfonamide

2-[(1-methyl-1H-indazol-7-yl)amino]-3-nitrobenzoic acid

1‐methyl‐7‐nitro‐3‐phenyl‐1H‐indazole