1-(2-Chloroethyl)-3-(2,2,2-trifluoroethyl)urea

Base Information

• Chemical Name: 1-(2-Chloroethyl)-3-(2,2,2-trifluoroethyl)urea
• CAS No.: 13908-00-4
• Molecular Formula: C5H8ClF3N2O
• Molecular Weight: 204.578
• NSC Number: 91734
• DSSTox Substance ID: DTXSID30293721
• Wikidata: Q82032634
• Mol file: 13908-00-4.mol

Synonyms:1-(2-chloroethyl)-3-(2,2,2-trifluoroethyl)urea;13908-00-4;NSC91734;SCHEMBL11341259;DTXSID30293721;NSC-91734;Urea, 1-(2-chloroethyl)-3-(2,2,2-trifluoroethyl)-

Chemical Property of 1-(2-Chloroethyl)-3-(2,2,2-trifluoroethyl)urea

Chemical Property:

• Vapor Pressure: 0.00332mmHg at 25°C
• Boiling Point: 282.6°C at 760 mmHg
• Flash Point: 124.7°C
• Density: 1.331g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 204.0277251
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)NC(=O)NCC(F)(F)F

Technology Process of 1-(2-Chloroethyl)-3-(2,2,2-trifluoroethyl)urea

There total 1 articles about 1-(2-Chloroethyl)-3-(2,2,2-trifluoroethyl)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: 94.0%

2-chloroethyl isothiocyanate (1943-83-5) + trifluoroethylamine (753-90-2) → 1-(2-chloroethyl)-3-(2,2,2-trifluoroethyl)urea (13908-00-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 2h;

upstream raw materials:

2-chloroethyl isothiocyanate

trifluoroethylamine