Benzenemethanamine, N-nitroso-N-phenyl-

Base Information

• Chemical Name: Benzenemethanamine, N-nitroso-N-phenyl-
• CAS No.: 612-98-6
• Molecular Formula: C13H12N2O
• Molecular Weight: 212.251
• NSC Number: 5050
• UNII: NR5TY7SS45
• DSSTox Substance ID: DTXSID3060615
• Nikkaji Number: J2.996C
• Wikidata: Q81989140
• Mol file: 612-98-6.mol

Synonyms:Benzylphenylnitrosamine;Benzenemethanamine, N-nitroso-N-phenyl-;N-Benzyl-N-nitrosoaniline;612-98-6;N-Phenyl-N-nitrosobenzylamine;BENZYLAMINE, N-NITROSO-N-PHENYL-;N-benzyl-N-phenylnitrous amide;N-Nitrosophenylbenzylamine;N-Nitroso-N-phenylbenzenemethanamine;NSC 5050;BRN 1819320;NR5TY7SS45;N-Nitroso-N-phenylbenzylamine;AI3-00487;NSC-5050;Nitrosobenzylphenylamine;NSC5050;UNII-NR5TY7SS45;N-Nitroso-N-phenylbenzylamin;N-Nitroso-N-phenyl-benzylamine;SCHEMBL8057394;DTXSID3060615;N-PHENYL-N-BENZYLNITROSAMINE;1-Benzyl-2-oxo-1-phenylhydrazine #;LS-43412;EN300-24876609;Z2181653267

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

Chemical Property:

• Vapor Pressure: 4.26E-06mmHg at 25°C
• Refractive Index: 1.6920 (estimate)
• Boiling Point: 383.9°Cat760mmHg
• Flash Point: 186°C
• PSA: 32.67000
• Density: 1.07g/cm³
• LogP: 3.37460
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 212.094963011
• Heavy Atom Count: 16
• Complexity: 208

Purity/Quality:

98%min ^*data from raw 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)CN(C2=CC=CC=C2)N=O

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

There total 6 articles about Benzenemethanamine, 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: 100.0%

N-Benzylaniline (758640-21-0,103-32-2) → N-benzyl-N-phenylnitrous amide (612-98-6)

Guidance literature:

With sodium azide; In water; acetonitrile; at 20 ℃;

DOI:10.1039/c4cc07440h

Reference yield:

N-Benzylaniline (758640-21-0,103-32-2) + isopentyl nitrite (110-46-3) → N-benzyl-N-phenylnitrous amide (612-98-6)

Guidance literature:

With 4-(1,1-dimethylethyl)benzoic acid; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere; Glovebox; Schlenk technique;

DOI:10.1039/c9cc04529e

Reference yield:

N,N-dibenzylaniline (91-73-6) → N-benzyl-N-phenylnitrous amide (612-98-6)

Guidance literature:

With 3,3-Dibenzyl-1-(4-tolyl)-1-nitrosourea; In tetrachloromethane; for 0.87h; Ambient temperature;

DOI:10.1248/cpb.42.1760

upstream raw materials:

N,N-dibenzylaniline

tetranitromethane

N-Benzylaniline

tetrachloromethane

Downstream raw materials:

N-benzyl-4-nitroso-aniline

N-nitroso N-benzyl-N-(4-nitroaniline)

benzylidene phenylamine

N-benzyl-N-phenylhydrazine