Urea, N-nitroso-N-phenyl-

Base Information

• Chemical Name: Urea, N-nitroso-N-phenyl-
• CAS No.: 6268-32-2
• Molecular Formula: C7H7 N3 O2
• Molecular Weight: 165.151
• NSC Number: 36238
• UNII: EI3CV902WD
• DSSTox Substance ID: DTXSID00211735
• Nikkaji Number: J36.567J
• Wikidata: Q83086716
• Mol file: 6268-32-2.mol

Synonyms:1-nitroso-1-phenylurea;UREA, N-NITROSO-N-PHENYL-;Nitrosophenylurea;Urea, 1-nitroso-1-phenyl-;N-Phenyl-N-nitrosourea;6268-32-2;Phenyl-nitroso-harnstoff [German];Phenyl-nitroso-harnstoff;NSC 36238;BRN 1841800;EI3CV902WD;NSC-36238;N-nitrosophenylurea;NSC36238;UNII-EI3CV902WD;N-NITROSO-N-PHENYLUREA;SCHEMBL1096892;DTXSID00211735;AKOS006276786;LS-160577

Chemical Property of Urea, N-nitroso-N-phenyl-

Chemical Property:

• Vapor Pressure: 0.00292mmHg at 25°C
• Refractive Index: 1.5860 (estimate)
• Boiling Point: 284.8°C at 760 mmHg
• Flash Point: 126°C
• PSA: 75.76000
• Density: 1.33g/cm³
• LogP: 1.95340
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.053826475
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

NITROSOPHENYLUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: C1=CC=C(C=C1)N(C(=O)N)N=O

Technology Process of Urea, N-nitroso-N-phenyl-

There total 6 articles about Urea, N-nitroso-N-phenyl- 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: 81.0%

phenyl carbamate (64-10-8) → N-phenyl-N-nitrosourea (6268-32-2)

Guidance literature:

With sulfuric acid; sodium nitrite; In acetic acid; cooling;

DOI:10.1021/jo01293a023

Reference yield:

aniline (62-53-3) → N-phenyl-N-nitrosourea (6268-32-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / H₂O / Heating

2: 81 percent / sodium nitrite, sulfuric acid / aq. acetic acid / cooling

With sulfuric acid; sodium nitrite; In water; acetic acid;

DOI:10.1021/jo01293a023

Reference yield:

phenyl carbamate (64-10-8) → N-phenyl-N-nitrosourea (6268-32-2) + Benzenediazonium perchlorate

Guidance literature:

With sodium nitrite; In perchloric acid; water; at 25 ℃; Mechanism; Rate constant; various pH, nitrous acid concntrations;

upstream raw materials:

phenyl carbamate

acetic acid

hydrogenchloride

aniline

Downstream raw materials:

cyanic acid

4-(phenylazo)-1,3-benzenediol

phenyl carbamate

potassium cyanate

Refernces

• 1、 Meijide, Francisco,Tato, Vazquez Jose,Casado, Julio,Castro, Albino,Mosquera, Manuel. "Kinetic Study of the Phenylurea-Nitrous Acid Reaction: Evidence for an O-Nitrosation Initial Step". . p. 1759 - 1766. Retrieved 2007/10/02.