1-benzyl-3,5-dibromo-4-nitro-1H-pyrazole

Base Information

• Chemical Name: 1-benzyl-3,5-dibromo-4-nitro-1H-pyrazole
• CAS No.: 155601-03-9
• Molecular Formula: C₁₀H₇Br₂N₃O₂
• Molecular Weight: 360.992
• DSSTox Substance ID: DTXSID60599283
• Wikidata: Q82495157
• Mol file: 155601-03-9.mol

Synonyms:1-benzyl-3,5-dibromo-4-nitro-1H-pyrazole;155601-03-9;1-benzyl-3,5-dibromo-4-nitropyrazole;SCHEMBL1076717;DTXSID60599283;RNMYBBCIGXBZGA-UHFFFAOYSA-N;MFCD09972276;AKOS005073767;NB-0821;1-benzyl -3,5-dibromo-4-nitropyrazole;CS-0337070;J-504274

Chemical Property of 1-benzyl-3,5-dibromo-4-nitro-1H-pyrazole

Chemical Property:

• Melting Point: 132-133°
• Boiling Point: 407.6±45.0 °C(Predicted)
• PKA: -6.07±0.10(Predicted)
• Density: 1.97±0.1 g/cm3(Predicted)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 360.88845
• Heavy Atom Count: 17
• Complexity: 281

Purity/Quality:

98%min ^*data from raw suppliers

1-Benzyl-3,5-dibromo-4-nitro-1H-pyrazole >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=C(C(=N2)Br)[N+](=O)[O-])Br

Technology Process of 1-benzyl-3,5-dibromo-4-nitro-1H-pyrazole

There total 3 articles about 1-benzyl-3,5-dibromo-4-nitro-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:

3,5-dibromo-4-nitro-1H-pyrazole (104599-36-2) + benzyl bromide (100-39-0) → 1-benzyl-3,5-dibromo-4-nitro-1H-pyrazole (155601-03-9)

Guidance literature:

With NaH; In N,N-dimethyl-formamide;

Reference yield:

benzyl chloride (100-44-7) → 1-benzyl-3,5-dibromo-4-nitro-1H-pyrazole (155601-03-9)

Guidance literature:

Reference yield:

→ 1-benzyl-3,5-dibromo-4-nitro-1H-pyrazole (155601-03-9)

Guidance literature:

upstream raw materials:

benzyl chloride

3,5-dibromo-4-nitro-1H-pyrazole

benzyl bromide

Downstream raw materials:

1-benzyl-3-bromo-5-methylamino-4-nitropyrazole

1-benzyl-3-bromo-5-ethylamino-4-nitropyrazole

1-benzyl-3-bromo-5-(2'-hydroxyethyl)amino-4-nitropyrazole