N-(4-bromophenyl)urea

Base Information

• Chemical Name: N-(4-bromophenyl)urea
• CAS No.: 1967-25-5
• Molecular Formula: C7H7BrN2O
• Molecular Weight: 215.049
• Hs Code.: 29242100
• European Community (EC) Number: 654-932-3
• UNII: N4K2D5WZSI
• DSSTox Substance ID: DTXSID30173337
• Nikkaji Number: J309.022A
• Wikidata: Q27284546
• Mol file: 1967-25-5.mol

Synonyms:1967-25-5;4-BROMOPHENYLUREA;N-(4-bromophenyl)urea;(4-Bromophenyl)urea;1-(4-bromophenyl)urea;UNII-N4K2D5WZSI;N4K2D5WZSI;Urea, (4-bromophenyl)-;AI3-61301;R3 4-Bromophenylurea;(4-bromophenyl)-urea;Urea,N-(4-bromophenyl)-;Urea, N-(4-bromophenyl)-;SCHEMBL2755848;PFQUUCXMPUNRLA-UHFFFAOYSA-;DTXSID30173337;PFQUUCXMPUNRLA-UHFFFAOYSA-N;MFCD00025428;STL124161;AKOS000200396;BS-4219;B2834;CS-0147088;FT-0617916;EN300-13136;F20475;A813865;SR-01000069217;SR-01000069217-1;Q27284546;Z89283357;InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)

Chemical Property of N-(4-bromophenyl)urea

Chemical Property:

• Vapor Pressure: 0.00202mmHg at 25°C
• Melting Point: 225-227 °C
• Refractive Index: 1.671
• Boiling Point: 290.9 °C at 760 mmHg
• PKA: 14.13±0.70(Predicted)
• Flash Point: 129.7 °C
• PSA: 55.12000
• Density: 1.708 g/cm³
• LogP: 2.71300
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.97418
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

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

4-Bromophenylurea ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)N)Br

Technology Process of N-(4-bromophenyl)urea

There total 21 articles about N-(4-bromophenyl)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: 93.0%

phenyl carbamate (64-10-8) → 4-bromophenylurea (1967-25-5)

Guidance literature:

With sodium anthraquinone-2-sulfonate; trifluoroacetic acid; sodium bromide; In water; acetonitrile; at 20 ℃; for 4h; regioselective reaction; Irradiation; Sealed tube;

DOI:10.1002/adsc.201701276

Reference yield: 89.0%

sodium isocyanate (917-61-3) + 4-bromo-aniline (106-40-1) → 4-bromophenylurea (1967-25-5)

Guidance literature:

With acetic acid; In water; for 0.5h;

Reference yield: 81.0%

potassium cyanate (590-28-3) + 4-bromo-aniline (106-40-1) → 4-bromophenylurea (1967-25-5)

Guidance literature:

With hydrogenchloride; In water; for 0.25h; Heating;

upstream raw materials:

phenyl carbamate

ethyl allophanate

4-bromo-aniline

potassium cyanate

Downstream raw materials:

5-bromo-2-ureido-benzenesulfonic acid

C₅₆H₆₂Br₂N₄O₆

C₁₆H₁₃BrN₄O₂

ethyl 4-(4-(3-(4-bromophenyl)ureido)phenoxy)benzoate

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、 Petzold, Daniel,K?nig, Burkhard. "Photocatalytic Oxidative Bromination of Electron-Rich Arenes and Heteroarenes by Anthraquinone". supporting information. p. 626 - 630. Retrieved 2017/11/22.