1,3-Bis(2-fluoroethyl)urea

Base Information

• Chemical Name: 1,3-Bis(2-fluoroethyl)urea
• CAS No.: 13907-92-1
• Molecular Formula: C5H10F2N2O
• Molecular Weight: 152.1425
• NSC Number: 91015
• DSSTox Substance ID: DTXSID30293620
• Wikidata: Q82032483
• Mol file: 13907-92-1.mol

Synonyms:13907-92-1;1,3-bis(2-fluoroethyl)urea;NSC91015;DTXSID30293620;Urea, 1,3-bis (2-fluoroethyl)-;NSC-91015

Chemical Property of 1,3-Bis(2-fluoroethyl)urea

Chemical Property:

• Vapor Pressure: 0.000855mmHg at 25°C
• Boiling Point: 304.8°Cat760mmHg
• Flash Point: 138.1°C
• Density: 1.112g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 152.07611927
• Heavy Atom Count: 10
• Complexity: 89.6

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CF)NC(=O)NCCF

Technology Process of 1,3-Bis(2-fluoroethyl)urea

There total 4 articles about 1,3-Bis(2-fluoroethyl)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: 65.0%

(2-fluoroethyl) isocyanate (505-12-4) + 2-fluoroethylamine hydrochloride (460-08-2) → 1,3-bis-(2-fluoroethyl) urea (13907-92-1)

Guidance literature:

With water; triethylamine; In 1,4-dioxane; at 0 - 20 ℃; for 1h;

DOI:10.1139/v84-359

Reference yield:

1,3-diethyleneurea (1192-75-2,64398-76-1) → 1,3-bis-(2-fluoroethyl) urea (13907-92-1)

Guidance literature:

With 18-crown-6 ether; tetrabutyl ammonium fluoride; In acetonitrile; at 145 ℃; for 0.333333h;

DOI:10.1139/v84-359

Reference yield:

2-fluoroethylamine (406-34-8) + 3-(2-Fluorethyl)-1-methyl-1-nitrosourea (13908-88-8) → 1,3-bis-(2-fluoroethyl) urea (13907-92-1)

Guidance literature:

In water; Ambient temperature;

DOI:10.1021/jm00324a026

upstream raw materials:

2-fluoroethylamine

3-(2-Fluorethyl)-1-methyl-1-nitrosourea

(2-fluoroethyl) isocyanate

2-fluoroethylamine hydrochloride

Downstream raw materials:

1,3-bis(2-fluoroethyl)-1-nitrosourea