Nitrosochloroethyldimethylurea

Base Information

• Chemical Name: Nitrosochloroethyldimethylurea
• CAS No.: 59960-30-4
• Molecular Formula: C5H10ClN3O2
• Molecular Weight: 179.63
• NSC Number: 247513
• DSSTox Substance ID: DTXSID30975393
• Nikkaji Number: J59.432F
• Wikidata: Q82959937
• ChEMBL ID: CHEMBL1969968
• Mol file: 59960-30-4.mol

Synonyms:59960-30-4;Nitrosochloroethyldimethylurea;3-(2-chloroethyl)-1,1-dimethyl-3-nitrosourea;NSC247513;BRN 2255038;1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea;Urea, 1-(2-chloroethyl)-3,3-dimethyl-1-nitroso-;CHEMBL1969968;DTXSID30975393;NSC 247513;NSC-247513;NCI60_001974;N-(2-Chloroethyl)-N',N'-dimethyl-N-nitrosourea

Chemical Property of Nitrosochloroethyldimethylurea

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Refractive Index: 1.5870 (estimate)
• Boiling Point: 222.4°Cat760mmHg
• Flash Point: 88.3°C
• PSA: 52.98000
• Density: 1.27g/cm³
• LogP: 0.89020
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 179.0461543
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)N(CCCl)N=O

Technology Process of Nitrosochloroethyldimethylurea

There total 1 articles about Nitrosochloroethyldimethylurea 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: 73.0%

1-(2-chloroethyl)-3,3-dimethylurea (71162-62-4) → 1-(2-chloroethyl)-3,3-dimethyl-1-nitrosourea (59960-30-4)

Guidance literature:

With acetic acid; sodium nitrite; for 1h; Ambient temperature;

DOI:10.1248/cpb.29.2509

upstream raw materials:

1-(2-chloroethyl)-3,3-dimethylurea

Refernces

• 1、 Lown,Chauhan. "Synthesis of specifically 15N- and 13C-labeled antitumor (2-haloethyl)nitrosoureas. The study of their conformations in solution by nitrogen-15 and carbon-13 nuclear magnetic resonance and evidence for stereoelectronic control in their aqueous decomposition". . p. 5309 - 5321. Retrieved 2007/10/02.