(3-Nitrophenyl)urea

Base Information

• Chemical Name: (3-Nitrophenyl)urea
• CAS No.: 13142-61-5
• Molecular Formula: C7H7N3O3
• Molecular Weight: 181.151
• DSSTox Substance ID: DTXSID10392140
• Nikkaji Number: J1.703.553C
• Wikidata: Q82190115
• Mol file: 13142-61-5.mol

Synonyms:(3-nitrophenyl)urea;13142-61-5;1-(3-Nitrophenyl)urea;N-(3-nitrophenyl)urea;N-3-nitrophenyl urea;3-(3-nitrophenyl)urea;N-(3-nitrophenyl)-urea;SCHEMBL14170;Urea, N-(3-nitrophenyl)-;DTXSID10392140;UUIRARUHMZIJCV-UHFFFAOYSA-N;AKOS001393776;NCGC00334340-01;BS-50846;EN300-27857;E85485;AB01327456-02;AQ-360/42595522;Z166687114

Chemical Property of (3-Nitrophenyl)urea

Chemical Property:

• Vapor Pressure: 0.000433mmHg at 25°C
• Melting Point: 133-134 °C
• Boiling Point: 315.6oC at 760 mmHg
• PKA: 14.08±0.70(Predicted)
• Flash Point: 144.7oC
• PSA: 101.93000
• Density: 1.49g/cm3
• LogP: 2.19540
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.04874109
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

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

(3-nitrophenyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3-Nitrophenyl)urea

There total 15 articles about (3-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: 87.0%

urea (57-13-6) + 3-nitro-aniline (99-09-2) → (3-nitro-phenyl)-urea (13142-61-5)

Guidance literature:

urea; With mannitol; citric acid; at 80 ℃;

3-nitro-aniline; With iodine; at 80 ℃; for 12h;

DOI:10.1080/00304948.2014.944408

Reference yield:

N-benzoyl-N'-(3-nitro-phenyl)-urea (94398-05-7) + sodium methylate (124-41-4) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + (3-nitro-phenyl)-urea (13142-61-5)

Guidance literature:

In methanol; at 25 ℃; Rate constant;

Reference yield:

isocyanic acid (3-nitro-phenyl) ester (3320-87-4) → (3-nitro-phenyl)-urea (13142-61-5)

Guidance literature:

With ammonia; toluene;

upstream raw materials:

isocyanic acid (3-nitro-phenyl) ester

N-(3-nitrophenyl)cyanamide

(3-nitro-phenyl)-carbamoyl chloride

potassium cyanate

Downstream raw materials:

N-(3-nitro-phenyl)-N'-(2,2,2-trichloro-1-hydroxy-ethyl)-urea

N-(3-nitrophenyl)hydrazinecarbamide

C₃₀H₂₆N₈O₁₀S

6-[3-(3-Nitro-phenyl)-ureido]-hexanoic acid

Refernces

• 1、 Mahajan, Hitesh,Bhardwaj, Madhvi,Paul, Satya. "Selective Synthesis of Mono-substituted Ureas in Low Melting Citric Acid-Urea-Mannitol Mixture". . p. 463 - 468. Retrieved 2015/10/28.
• 2、 -. "CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS". Page 82. . Retrieved 2008/06/13.