1-methyl-3,4-dinitro-1H-pyrazole

Base Information

• Chemical Name: 1-methyl-3,4-dinitro-1H-pyrazole
• CAS No.: 66296-67-1
• Molecular Formula: C₄H₄N₄O₄
• Molecular Weight: 172.1
• Hs Code.: 2933199090
• European Community (EC) Number: 841-926-2
• Nikkaji Number: J944.306A
• Mol file: 66296-67-1.mol

Synonyms:1-methyl-3,4-dinitro-1H-pyrazole;66296-67-1;1-methyl-3,4-dinitropyrazole;SCHEMBL12335522;MFCD00466337;STK349681;AKOS000310707;AKOS015922206;AS-83284;CS-0240707;D86051;EN300-229749

Chemical Property of 1-methyl-3,4-dinitro-1H-pyrazole

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 172.02325462
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

1-METHYL-3,4-DINITRO-1H-PYRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(C(=N1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1-methyl-3,4-dinitro-1H-pyrazole

There total 7 articles about 1-methyl-3,4-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: 96.0%

1-methyl-3-nitro-1H-pyrazole (54210-32-1) → 1-methyl-3,4-dinitropyrazole (66296-67-1)

Guidance literature:

With bismuth(III) nitrate; In tetrahydrofuran; at 20 ℃; for 1.5h;

DOI:10.1016/j.catcom.2011.12.016

Reference yield: 96.0%

1-methyl-1H-pyrazole (930-36-9) → 1-methyl-3,4-dinitropyrazole (66296-67-1)

Guidance literature:

With bismuth(III) nitrate; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1016/j.catcom.2011.12.016

Reference yield: 88.4%

4-iodo-1-methyl-3-nitro-1H-pyrazole (75092-34-1) → 1-methyl-3,4-dinitropyrazole (66296-67-1)

Guidance literature:

With sulfuric acid; nitric acid; at 30 ℃; for 0.333333h;

DOI:10.1007/BF01431120

upstream raw materials:

4-iodo-1-methyl-3-nitro-1H-pyrazole

1-methyl-1H-pyrazole

1-methyl-3-nitro-1H-pyrazole

3,4-diiodo-1-methylpyrazole

Downstream raw materials:

1-Methyl-3,4-dinitro-5-(tosylmethyl)pyrazol