1-(4-Nitrophenyl)-1H-imidazole

Base Information

• Chemical Name: 1-(4-Nitrophenyl)-1H-imidazole
• CAS No.: 2301-25-9
• Molecular Formula: C9H7N3O2
• Molecular Weight: 189.173
• Hs Code.: 2933290090
• European Community (EC) Number: 626-044-6
• DSSTox Substance ID: DTXSID20177566
• Nikkaji Number: J49.343K
• Wikidata: Q72495499
• ChEMBL ID: CHEMBL279810
• Mol file: 2301-25-9.mol

Synonyms:1-(4-Nitrophenyl)-1H-imidazole;2301-25-9;1-(4-Nitrophenyl)imidazole;Imidazole, 1-(p-nitrophenyl)-;1H-Imidazole, 1-(4-nitrophenyl)-;BRN 0164842;C9H7N3O2;1-(imidazol-1-yl)-4-nitrobenzene;5-23-04-00269 (Beilstein Handbook Reference);4-(1H-Imidazol-1-yl)-nitrobenzene;Cambridge id 5511236;Oprea1_015132;1-(-4-nitrophenyl)imidazole;MLS001030210;4-(Imidazol-1-yl)nitrobenzene;CHEMBL279810;SCHEMBL1067002;4-(imidazole-1-yl)nitrobenzene;DTXSID20177566;HMS2803C04;1-(4-Nitro-phenyl)-1H-imidazole;GEO-02033;MFCD00060491;STK126498;AKOS000267665;DS-0167;NCGC00246371-01;LS-78840;SMR000427321;AM20060912;CS-0157619;FT-0605761;SR-01000399376;J-640091;J-800094;SR-01000399376-1;W-200237

Chemical Property of 1-(4-Nitrophenyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 1.84E-05mmHg at 25°C
• Melting Point: 198-203 °C(lit.)
• Refractive Index: 1.65
• Boiling Point: 374.109 °C at 760 mmHg
• Flash Point: 180.055 °C
• PSA: 63.64000
• Density: 1.339 g/cm³
• LogP: 2.30370
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.053826475
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Nitrophenyl)-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C=CN=C2)[N+](=O)[O-]

Technology Process of 1-(4-Nitrophenyl)-1H-imidazole

There total 23 articles about 1-(4-Nitrophenyl)-1H-imidazole 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: 100.0%

1H-imidazole (288-32-4) + 4-chlorobenzonitrile (100-00-5) → 1-(4-nitrophenyl)-1H-imidazole (2301-25-9)

Guidance literature:

With copper(I) oxide; 1,10-Phenanthroline; tetrabutyl ammonium fluoride; at 140 - 145 ℃; for 24h;

DOI:10.1055/s-2008-1067014

Reference yield: 100.0%

1H-imidazole (288-32-4) + p-nitrobenzene iodide (636-98-6) → 1-(4-nitrophenyl)-1H-imidazole (2301-25-9)

Guidance literature:

With copper phthalocyanine; sodium hydroxide; In dimethyl sulfoxide; at 100 ℃;

DOI:10.1016/j.tetlet.2017.06.067

Reference yield: 99.0%

1H-imidazole (288-32-4) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 1-(4-nitrophenyl)-1H-imidazole (2301-25-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 18h; Inert atmosphere;

upstream raw materials:

1H-imidazole

1-(2-chloroethoxy)-4-nitrobenzene

4-Fluoronitrobenzene

p-nitrobenzene iodide

Downstream raw materials:

para-methoxynitrobenzene

4-(N-imidazolyl)aniline

1-ethoxy-4-nitrobenzene

5-(1H-imidazol-1-yl)-2-nitroaniline