4-Bromo-3-(4-nitrophenyl)-1H-pyrazole

Base Information

• Chemical Name: 4-Bromo-3-(4-nitrophenyl)-1H-pyrazole
• CAS No.: 73227-97-1
• Molecular Formula: C9H6 Br N3 O2
• Molecular Weight: 268.07
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID70502743
• Nikkaji Number: J2.695.890C
• Wikidata: Q72448683
• Mol file: 73227-97-1.mol

Synonyms:4-BROMO-3-(4-NITROPHENYL)-1H-PYRAZOLE;73227-97-1;4-bromo-5-(4-nitrophenyl)-1H-pyrazole;SCHEMBL4317166;DTXSID70502743;UPHRISFLZHTMTO-UHFFFAOYSA-N;CS-M0099;MFCD03407388;AKOS010654614;AKOS025394822;Naphthalene, 2-bromo-6-(chloromethyl)-;SY356384;FT-0740988;A837756

Chemical Property of 4-Bromo-3-(4-nitrophenyl)-1H-pyrazole

Chemical Property:

• Melting Point: 185-186℃
• PSA: 74.50000
• Density: 1.737
• LogP: 3.27060
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 266.96434
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-3-(4-nitrophenyl)-1H-pyrazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C(C=NN2)Br)[N+](=O)[O-]

Technology Process of 4-Bromo-3-(4-nitrophenyl)-1H-pyrazole

There total 3 articles about 4-Bromo-3-(4-nitrophenyl)-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: 99.0%

3-(4-nitrophenyl)-1H-pyrazole (20583-31-7) → 4-bromo-3-(4-nitrophenyl)-1H-pyrazole (73227-97-1)

Guidance literature:

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

DOI:10.1016/j.tetlet.2008.12.113

Reference yield: 90.0%

5(3)-(4-nitrophenyl)-1H-pyrazole (20583-31-7) → 4-bromo-3-(4-nitrophenyl)-1H-pyrazole (73227-97-1)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

Reference yield:

→ 4-bromo-3-(4-nitrophenyl)-1H-pyrazole (73227-97-1)

Guidance literature:

3-Phenylpyrazolderivat 1e, HNO3, H2SO4;

upstream raw materials:

3-(4-nitrophenyl)-1H-pyrazole

5⁽³⁾-(4-nitrophenyl)-1H-pyrazole

Downstream raw materials:

4-bromo-1-methyl-3-(4-nitrophenyl)-1H-pyrazole

1,1-dimethylethyl [4-bromo-3-(4-nitrophenyl)-1H-pyrazol-1-yl]acetate

4-bromo-1-ethyl-3-(4-nitrophenyl)-1H-pyrazole

4-bromo-3-(4-nitrophenyl)-1-(2-propen-1-yl)-1H-pyrazole