1-(4-Chlorophenyl)-3-(4-nitrophenyl)urea

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-(4-nitrophenyl)urea
• CAS No.: 13252-25-0
• Molecular Formula: C13H10ClN3O3
• Molecular Weight: 291.694
• European Community (EC) Number: 666-494-0
• Mol file: 13252-25-0.mol

Synonyms:1-(4-chlorophenyl)-3-(4-nitrophenyl)urea;SCHEMBL18825691;AKOS002952895;N-4-chlorophenyl-N'-4'-nitrophenylurea

Chemical Property of 1-(4-Chlorophenyl)-3-(4-nitrophenyl)urea

Chemical Property:

• Melting Point: 250 °C
• PSA: 86.95000
• LogP: 4.56140
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 291.0410689
• Heavy Atom Count: 20
• Complexity: 345

Purity/Quality:

1-(4-CHLOROPHENYL)-3-(4-NITROPHENYL)UREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Technology Process of 1-(4-Chlorophenyl)-3-(4-nitrophenyl)urea

There total 13 articles about 1-(4-Chlorophenyl)-3-(4-nitrophenyl)urea 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: 92.0%

5-(4-chlorophenyl)-1-(4-nitrophenyl)tetrazole (99137-14-1) → N-(4-chlorophenyl)-N'-(4-nitrophenyl)urea (13252-25-0)

Guidance literature:

In various solvent(s); for 7h; Heating;

Reference yield: 74.0%

4-Nitrophenyl isocyanate (100-28-7) + 4-chloro-aniline (106-47-8) → N-(4-chlorophenyl)-N'-(4-nitrophenyl)urea (13252-25-0)

Guidance literature:

In tetrahydrofuran; at 60 ℃; for 24h;

DOI:10.1016/j.bioorg.2018.10.008

Reference yield: 50.0%

p-chlorphenylisocyanate (104-12-1) + 4-nitro-aniline (100-01-6,104810-17-5) → N-(4-chlorophenyl)-N'-(4-nitrophenyl)urea (13252-25-0)

Guidance literature:

In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/j.bmcl.2019.126885

upstream raw materials:

4-Nitrophenyl isocyanate

4-chloro-aniline

4-nitrobenzoyl azide

4-chlorobenzoyl azide