1-(2-Chloroethyl)-3-[4-(trifluoromethyl)phenyl]urea

Base Information

• Chemical Name: 1-(2-Chloroethyl)-3-[4-(trifluoromethyl)phenyl]urea
• CAS No.: 13908-39-9
• Molecular Formula: C10H10ClF3N2O
• Molecular Weight: 266.65
• NSC Number: 83104
• DSSTox Substance ID: DTXSID90930307
• Wikidata: Q82905592

Synonyms:1-(2-chloroethyl)-3-[4-(trifluoromethyl)phenyl]urea;13908-39-9;NSC83104;1-(2-chloro-ethyl)-3-(4-trifluoromethylphenyl)urea;SCHEMBL136432;DTXSID90930307;NSC-83104;AKOS008937000;Urea, N-(2-chloroethyl)-N'-[4-(trifluoromethyl)phenyl]-;N'-(2-Chloroethyl)-N-[4-(trifluoromethyl)phenyl]carbamimidic acid

Chemical Property of 1-(2-Chloroethyl)-3-[4-(trifluoromethyl)phenyl]urea

Chemical Property:

• Vapor Pressure: 0.000933mmHg at 25°C
• Boiling Point: 303.4°C at 760 mmHg
• Flash Point: 137.3°C
• Density: 1.383g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 266.0433751
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)NC(=O)NCCCl

Technology Process of 1-(2-Chloroethyl)-3-[4-(trifluoromethyl)phenyl]urea

There total 2 articles about 1-(2-Chloroethyl)-3-[4-(trifluoromethyl)phenyl]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: 92.0%

2-chloroethyl isothiocyanate (1943-83-5) + 4-trifluoromethylphenylamine (455-14-1) → 1-(3-chloropropyl)-3-(4-(trifluoromethyl)phenyl)urea (13908-39-9)

Guidance literature:

In toluene; at 40 ℃; for 12h;

Reference yield:

→ 1-(3-chloropropyl)-3-(4-(trifluoromethyl)phenyl)urea (13908-39-9)

Guidance literature:

In dichloromethane; at 20 ℃; for 72h;

Reference yield: 84.7%

1-(3-chloropropyl)-3-(4-(trifluoromethyl)phenyl)urea (13908-39-9) → 1-(4-trifluoromethylphenyl)-2-imidazolidinone (162748-21-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

upstream raw materials:

2-chloroethyl isothiocyanate

4-trifluoromethylphenylamine

Downstream raw materials:

C₁₀H₉ClF₃N₃O₂

1-(4-trifluoromethylphenyl)-2-imidazolidinone

2-fluoro-5-[2-oxo-3-(4-trifluoromethyl-phenyl)-imidazolidin-1-yl]-benzoic acid

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