(2-Bromophenyl)urea

Base Information

• Chemical Name: (2-Bromophenyl)urea
• CAS No.: 13114-90-4
• Molecular Formula: C7H7 Br N2 O
• Molecular Weight: 215.049
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID3074496
• Nikkaji Number: J307.513C
• Wikidata: Q82002821
• ChEMBL ID: CHEMBL4940394
• Mol file: 13114-90-4.mol

Synonyms:(2-Bromophenyl)urea;13114-90-4;1-(2-bromophenyl)urea;Urea, (2-bromophenyl)-;N-(2-BROMOPHENYL)UREA;2-bromophenyl urea;N'-(2-bromophenyl)urea;N'-(2-bromo phenyl)urea;N'-(2-bromo phenyl) urea;Urea, N-(2-bromophenyl)-;SCHEMBL2050021;CHEMBL4940394;DTXSID3074496;QXEDXIJDCOADGG-UHFFFAOYSA-;QXEDXIJDCOADGG-UHFFFAOYSA-N;MFCD00041315;STL124170;AKOS000150940;BS-4218;A2744;B2833;CS-0206475;FT-0611600;FT-0611601;EN300-48606;H11652;J-005945;(S)-(+)-1,1-Bi-2-Naphthylbis-trifluoromethanesulfonate;Z247615996;InChI=1/C7H7BrN2O/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)

Chemical Property of (2-Bromophenyl)urea

Chemical Property:

• Vapor Pressure: 0.00241mmHg at 25°C
• Melting Point: 202 °C
• Boiling Point: 287.9°Cat760mmHg
• PKA: 14.07±0.70(Predicted)
• Flash Point: 127.9°C
• PSA: 55.12000
• Density: 1.708g/cm³
• LogP: 2.71300
• Solubility.: soluble in Dimethylformamide
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.97418
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98% ^*data from raw suppliers

(2-Bromophenyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (2-Bromophenyl)urea

There total 8 articles about (2-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: 99.0%

2-Bromobenzamide (4001-73-4) → N'-(2-bromo phenyl)-urea (13114-90-4)

Guidance literature:

With [bis(acetoxy)iodo]benzene; ammonia; In methanol; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1055/s-0040-1707103

Reference yield: 93.0%

potassium cyanate (590-28-3) + 2-bromoaniline (615-36-1) → N'-(2-bromo phenyl)-urea (13114-90-4)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c8ra03761b

Reference yield: 87.0%

nitrourea (556-89-8) + 2-bromoaniline (615-36-1) → N'-(2-bromo phenyl)-urea (13114-90-4)

Guidance literature:

In water; 1.) 80 deg. C, 2.) r.t., 48 h;

upstream raw materials:

N-(2-bromophenyl)cyanamide

nitrourea

2-bromoaniline

sodium isocyanate

Downstream raw materials:

4-(2-Bromophenyl)-5-hydroxy-3-phenyl-Δ²-1,2,4-triazole

1-Benzal-4-(2-bromophenyl)semicarbazone

2(3H)-Benzothiazolone

N-(2-bromophenyl)hydrazinecarboxamide

Refernces

• 1、 álvarez, Daniel,Cadierno, Victorio,Crochet, Pascale,González-Fernández, Rebeca,López, Ramón,Menéndez, M. Isabel. "Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights". . p. 4084 - 4098. Retrieved 2020/07/09.
• 2、 Gupta, Mahesh Kumar,Pandeya, Suerendra N.,Zaiad, Golal M.,Gangwar. "Synthesis and anticonvulsant activity of halo-substituted aryl urea and thioureas". experimental part. p. 1421 - 1424. Retrieved 2011/09/20.