(Cyanomethyl)urea

Base Information

• Chemical Name: (Cyanomethyl)urea
• CAS No.: 5962-07-2
• Molecular Formula: C3H5N3O
• Molecular Weight: 99.0922
• Hs Code.: 2926909090
• European Community (EC) Number: 227-736-7
• DSSTox Substance ID: DTXSID70208293
• Nikkaji Number: J27.777K
• Wikidata: Q72458636
• Mol file: 5962-07-2.mol

Synonyms:1-(cyanomethyl)urea;(Cyanomethyl)urea;cyanomethylurea;5962-07-2;5962-02-7;Ureidoacetonitrile;DTXSID70208293;EINECS 227-736-7;AKOS010117366;CS-0454053;EN300-111605;F73803;A914187;W-110072;Z600498544

Chemical Property of (Cyanomethyl)urea

Chemical Property:

• Vapor Pressure: 0.00964mmHg at 25°C
• Refractive Index: 1.479
• Boiling Point: 264.6 °C at 760 mmHg
• Flash Point: 113.8 °C
• PSA: 78.91000
• Density: 1.222g/cm³
• LogP: 0.26948
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Water (Slightly)
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 99.043261792
• Heavy Atom Count: 7
• Complexity: 111

Purity/Quality:

98%Min ^*data from raw suppliers

1-(Cyanomethyl)urea 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C#N)NC(=O)N
• Uses: (Cyanomethyl)urea (CAS# 5962-07-2) is used in lithium secondary batteries.

Technology Process of (Cyanomethyl)urea

There total 5 articles about (Cyanomethyl)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: 73.0%

potassium cyanate (590-28-3) + 2-aminoacetonitrile hydrochloride (6011-14-9) → cyanomethylurea (5962-07-2)

Guidance literature:

In water;

Reference yield:

2-aminoacetonitrile hydrochloride + urea (57-13-6) → cyanomethylurea (5962-07-2)

Guidance literature:

With sodium dihydrogenphosphate; In ethanol; water; at 120 ℃; for 6h; Temperature;

Reference yield:

nitrourea (556-89-8) + 2-aminoacetonitrile (540-61-4) → cyanomethylurea (5962-07-2)

Guidance literature:

With water; at 60 - 70 ℃;

upstream raw materials:

nitrourea

2-aminoacetonitrile

potassium cyanate

2-aminoacetonitrile hydrochloride

Downstream raw materials:

orotic acid

2,4-imidazolidinedione

Refernces

• 1、 Machacek, Vladimir,Svobodova, Gabriela,Sterba, Vojeslav. "KINETICS AND MECHANISM OF BASE-CATALYZED CYCLIZATION OF SUBSTITUTED AMIDES AND NITRILES OF HYDANTOIC ACID". . p. 140 - 155. Retrieved 2007/10/02.