1-(2-Bromoethyl)-3-phenylurea

Base Information

• Chemical Name: 1-(2-Bromoethyl)-3-phenylurea
• CAS No.: 5157-48-2
• Molecular Formula: C₉H₁₁BrN₂O
• Molecular Weight: 243.103
• NSC Number: 79651
• DSSTox Substance ID: DTXSID40199523
• Nikkaji Number: J83.814D
• Wikidata: Q83072434
• Mol file: 5157-48-2.mol

Synonyms:1-(2-Bromoethyl)-3-phenylurea;Urea, 1-(2-bromoethyl)-3-phenyl-;5157-48-2;3-(2-Bromoethyl)-1-phenylurea;NSC 79651;BRN 2804754;NSC79651;0-12-00-00349 (Beilstein Handbook Reference);SCHEMBL16666836;DTXSID40199523;JXTNSWBSWXAYBC-UHFFFAOYSA-N;1-(2-bromoethyl)-3-phenyl urea;NSC-79651;AKOS003587354

Chemical Property of 1-(2-Bromoethyl)-3-phenylurea

Chemical Property:

• Vapor Pressure: 0.000537mmHg at 25°C
• Boiling Point: 312.2°C at 760 mmHg
• Flash Point: 142.6°C
• Density: 1.509g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 242.00548
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Bromoethyl)-3-phenylurea

There total 2 articles about 1-(2-Bromoethyl)-3-phenylurea 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:

2-bromoethylamine (107-09-5) + phenyl isocyanate (103-71-9) → N-(2-bromoethyl)-N'-phenylurea (5157-48-2)

Guidance literature:

With benzene;

Reference yield:

→ N-(2-bromoethyl)-N'-phenylurea (5157-48-2)

Guidance literature:

2-Brom-ethylamin*HBr, 1) wss. KOH, 2) Phenylisocyanat, Bzl.;

DOI:10.1039/j39660000065

Reference yield:

N-(2-bromoethyl)-N'-phenylurea (5157-48-2) → C9H10BrN3O2 (13907-73-8)

Guidance literature:

With formic acid; sodium nitrite;

DOI:10.1021/jm00324a026

upstream raw materials:

2-bromoethylamine

phenyl isocyanate

Downstream raw materials:

4,5-dihydro-N-phenyl-2-oxazolamine

C₉H₁₀BrN₃O₂

2-(phenylimino)oxazolidine

N-benzoyl-2 phenyliminooxazolidine