(4-Nitrophenyl)urea

Base Information

• Chemical Name: (4-Nitrophenyl)urea
• CAS No.: 556-10-5
• Molecular Formula: C7H7N3O3
• Molecular Weight: 181.151
• European Community (EC) Number: 808-161-6
• NSC Number: 227938
• UNII: DY0F0348GL
• DSSTox Substance ID: DTXSID40310514
• Wikidata: Q27276664
• Mol file: 556-10-5.mol

Synonyms:(4-nitrophenyl)urea;556-10-5;N-(4-nitrophenyl)urea;1-(4-Nitrophenyl)urea;4-Nitrophenylurea;p-Nitrophenylurea;Urea, N-(4-nitrophenyl)-;(4-Nitrophenyl)urea [MI];ent-61327;NSC-227938;UNII-DY0F0348GL;DY0F0348GL;Urea, (4-nitrophenyl)-;Nitrophenylharnstoffe;ENT 61327;Urea, (p-nitrophenyl)-;SCHEMBL1102071;DTXSID40310514;MFCD09040599;NSC227938;AKOS001355782;NCGC00320401-01;AS-56901;CS-0244226;N0980;EN300-27378;T72612;AB01315532-02;Q27276664;Z166687092

Chemical Property of (4-Nitrophenyl)urea

Chemical Property:

• Vapor Pressure: 8.15E-05mmHg at 25°C
• Melting Point: 150℃
• Refractive Index: 1.5860 (estimate)
• Boiling Point: 341.2°C at 760 mmHg
• PKA: 13.79±0.70(Predicted)
• Flash Point: 160.2°C
• PSA: 100.94000
• Density: 1.49g/cm³
• LogP: 2.38190
• Solubility.: soluble in Methanol,Ethanol,Dimethylformamide
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.04874109
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

98%,99%, ^*data from raw suppliers

(4-Nitrophenyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Nitrophenyl)urea

There total 26 articles about (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: 98.0%

4-nitrobenzamide (619-80-7) → p-nitrophenylurea (556-10-5)

Guidance literature:

With [bis(acetoxy)iodo]benzene; ammonium carbamate; In 2,2,2-trifluoroethanol; at 0 - 20 ℃; for 23.5h; Inert atmosphere;

DOI:10.1055/s-0040-1707103

Reference yield: 91.0%

p-nitrophenylthiourea (3696-22-8) → p-nitrophenylurea (556-10-5)

Guidance literature:

With trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane; water; potassium hydroxide; In acetonitrile; at 20 ℃; for 0.0166667h;

DOI:10.1080/17415993.2015.1082181

Reference yield: 90.0%

N-(4-nitrophenyl)cyanamide (61700-60-5) → p-nitrophenylurea (556-10-5)

Guidance literature:

With silver; water; for 1h; Reflux;

DOI:10.1016/j.saa.2014.04.186

upstream raw materials:

N-(4-nitrophenyl)cyanamide

(4-nitro-phenyl)-thiocarbamic acid S-phenyl ester

4-Nitrophenyl isocyanate

(4-nitro-phenyl)-carbamoyl chloride

Downstream raw materials:

N-(4-nitro-phenyl)-N'-(2,2,2-trichloro-1-hydroxy-ethyl)-urea

4-(4-nitrophenyl)semicarbazide

N-(2,4-dinitro-phenyl)-N'-nitro-urea

N-(4-nitrophenyl)-N'-methoxymethylurea

Refernces

• 1、 Franck, Xavier,Glachet, Thomas,Ibert, Quentin,Lohier, Jean-Fran?ois,Reboul, Vincent,Saraiva Rosa, Nathalie. "A Straightforward Synthesis of N-Substituted Ureas from Primary Amides". . p. 2099 - 2105. Retrieved 2020/07/13.
• 2、 Singh, Prem,Tripathi, Laxmi. "Design and synthesis of novel N-(4-(Pyridin-2-yloxy)benzylidene)-4-[4-(substituted)phenyl]semicarbazides as potential anticonvulsant agents". . p. 2193 - 2200. Retrieved 2018/09/10.