N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea

Base Information

• Chemical Name: N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea
• CAS No.: 13908-43-5
• Molecular Formula: C₁₀H₁₀ClN₃O
• Molecular Weight: 223.662
• Hs Code.: 2926909090
• NSC Number: 78514
• DSSTox Substance ID: DTXSID70291827
• Wikidata: Q82029891
• Mol file: 13908-43-5.mol

Synonyms:13908-43-5;N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea;1-(2-chloroethyl)-3-(4-cyanophenyl)urea;N-(2-CHLOROETHYL)-N/'-(4-CYANOPHENYL)UREA;NSC78514;3-(2-chloroethyl)-1-(4-cyanophenyl)urea;Urea,N-(2-chloroethyl)-N'-(4-cyanophenyl)-;NCIOpen2_004285;SCHEMBL8576539;DTXSID70291827;MFCD08689732;NSC-78514;AKOS005072749;FA-0884;CS-0357643;FT-0680996;J-502982

Chemical Property of N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea

Chemical Property:

• Melting Point: 145-147°C
• Boiling Point: 370.6 °C at 760 mmHg
• Flash Point: 177.9 °C
• PSA: 64.92000
• Density: 1.28g/cm³
• LogP: 2.38248
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 223.0512396
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

N-(2-Chloroethyl)-N''-(4-cyanophenyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(2-Chloroethyl)-N'-(4-cyanophenyl)urea

There total 2 articles about N-(2-Chloroethyl)-N'-(4-cyanophenyl)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:

4-(aziridine-1-carbonylamino)-benzonitrile (13907-83-0) → N-(2-chloroethyl)-N'-(4-cyano-phenyl)-urea (13908-43-5)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jm00324a026

Reference yield:

→ N-(2-chloroethyl)-N'-(4-cyano-phenyl)-urea (13908-43-5)

Guidance literature:

Reference yield:

N-(2-chloroethyl)-N'-(4-cyano-phenyl)-urea (13908-43-5) → C10H9ClN4O2 (13909-22-3)

Guidance literature:

With formic acid; sodium nitrite;

DOI:10.1021/jm00324a026

upstream raw materials:

4-(aziridine-1-carbonylamino)-benzonitrile

Downstream raw materials:

C₁₀H₉ClN₄O₂

Refernces

• 1、 -. "Cyclic urea derivatives, pharmaceutical compositions containing these compounds and methods of using the same". . . Retrieved 2008/06/13.
• 2、 Johnston,McCaleb,Opliger,Montgomery. "The synthesis of potential anticancer agents. XXXVI. N-nitrosoureas. II. Haloalkyl derivatives.". . p. 892 - 911. Retrieved 2007/10/05.