N-Methyl-N,4-dinitrosoaniline

Base Information

• Chemical Name: N-Methyl-N,4-dinitrosoaniline
• CAS No.: 99-80-9
• Molecular Formula: C7H7 N3 O2
• Molecular Weight: 165.151
• Hs Code.: 2928000090
• European Community (EC) Number: 202-788-3
• UNII: B4PP0E8KPO
• DSSTox Substance ID: DTXSID3020839
• Nikkaji Number: J12.990I
• Wikidata: Q27155988
• ChEMBL ID: CHEMBL353270
• Mol file: 99-80-9.mol

Synonyms:N,4-dinitroso-N-methylaniline;N,4-dinitrosomethylaniline

Chemical Property of N-Methyl-N,4-dinitrosoaniline

Chemical Property:

• Vapor Pressure: 4.37E-05mmHg at 25°C
• Melting Point: 101°C
• Refractive Index: 1.5860 (estimate)
• Boiling Point: 350.5°Cat760mmHg
• PKA: -7.76±0.50(Predicted)
• Flash Point: 165.8°C
• PSA: 62.10000
• Density: 1.26g/cm³
• LogP: 2.20210
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Heated)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 165.053826475
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=C(C=C1)N=O)N=O

Technology Process of N-Methyl-N,4-dinitrosoaniline

There total 6 articles about N-Methyl-N,4-dinitrosoaniline 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:

N,N-dimethyl-aniline (121-69-7,77733-26-7) → N,4-Dinitroso-N-methylbenzeneamine (99-80-9) + N-methyl-N-nitrosoaniline (614-00-6)

Guidance literature:

With n-Amyl nitrite; for 168h; Product distribution; Ambient temperature;

DOI:10.1016/S0040-4020(01)86768-5

Reference yield:

→ N,4-Dinitroso-N-methylbenzeneamine (99-80-9)

Guidance literature:

With sodium nitrite;

Reference yield:

N-methylaniline (100-61-8) → N,4-Dinitroso-N-methylbenzeneamine (99-80-9) + 4-nitroso-N-methylaniline (10595-51-4)

Guidance literature:

With hydrogenchloride; sodium nitrite;

upstream raw materials:

N-methylaniline

N,N-dimethyl-aniline

hydrogenchloride

4-nitroso-N-methylaniline

Downstream raw materials:

N-methyl-N-nitroso-4-nitroaniline

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