Nitrourea

Base Information

• Chemical Name: Nitrourea
• CAS No.: 556-89-8
• Molecular Formula: CH3 N3 O3
• Molecular Weight: 105.053
• European Community (EC) Number: 209-144-0
• NSC Number: 14982
• UN Number: 0147
• UNII: 3UA35787YZ
• DSSTox Substance ID: DTXSID4060311
• Wikipedia: Nitrourea
• Wikidata: Q7041515
• Mol file: 556-89-8.mol

Synonyms:Nitrourea;N-Nitrocarbamide;556-89-8;1-Nitrourea;UREA, NITRO-;Nitro urea;N-Nitrourea;Urea, N-nitro-;UN0147;UNII-3UA35787YZ;3UA35787YZ;NSC14982;EINECS 209-144-0;NSC 14982;NSC-14982;Nitroharnstoff;nitro isourea;NITROUREA [MI];CH3N3O3;SCHEMBL304553;DTXSID4060311;C-H3-N3-O3;NA0147;STL453568;AKOS015919402;UN-0147;N0328;Nitro urea [UN0147] [Explosive 1.1D];EN300-19850;E86036;A830756;Q7041515

Chemical Property of Nitrourea

Chemical Property:

• Melting Point: 158.5 ºC (dec.)
• Refractive Index: 1.4451 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: pK (20°) 2.15
• Flash Point: °C
• PSA: 100.94000
• Density: 1.557g/cm³
• LogP: 0.46080
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 105.01744097
• Heavy Atom Count: 7
• Complexity: 92.8
• Transport DOT Label: Explosive 1.1D

Purity/Quality:

99% ^*data from raw suppliers

NITROUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Severe explosion risk.
• Hazard Codes: Severe explosion risk.
• Safety Statements: 17-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(N)N[N+](=O)[O-]

Technology Process of Nitrourea

There total 12 articles about Nitrourea 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: 100.0%

urea (57-13-6) → nitrourea (556-89-8)

Guidance literature:

With nitric acid; for 2h;

DOI:10.2174/157017810791112450

Reference yield: 80.0%

uronium nitrate (124-47-0) → nitrourea (556-89-8)

Guidance literature:

With sulfuric acid; cooling;

DOI:10.1016/j.tetlet.2006.10.027

Reference yield:

silver cyanate (3315-16-0) → nitrourea (556-89-8)

Guidance literature:

With hydrogenchloride; water;

upstream raw materials:

uronium nitrate

acetic anhydride

nitric acid

acetic acid

Downstream raw materials:

4-(2-hydroxy-ethyl)-piperazine-1-carboxylic acid amide

N-dodecylurea

1-hexylurea

N,N'-diheptylurea

Refernces

• 1、 Astrat'ev,Kuznetsov. "Formation and decomposition of nitrocyanamide in strong mineral acids". . p. 1252 - 1259. Retrieved 2002.
• 2、 Ghorbani-Choghamarani,Zamani. "Ammonium bromide as an effective and viable catalyst in the oxidation of sulfides using nitro urea and silica sulfuric acid". experimental part. p. 142 - 148. Retrieved 2012/01/03.
• 3、 Ghorbani-Choghamarani, Arash,Zolfigol, Mohammad A.,Hajjami, Maryam,Rastgoo, Shahrbanoo,Mallakpour, Shadpour. "Metal-Free oxidation of urazole and 1,4-dihydropyridine derivatives under mild and heterogeneous conditions by nitro urea, derived from urea nitrate, and silica sulfuric acid". experimental part. p. 249 - 254. Retrieved 2011/07/30.