Benzenamine, N-methyl-3,4-dinitro-

Base Information

• Chemical Name: Benzenamine, N-methyl-3,4-dinitro-
• CAS No.: 61149-80-2
• Molecular Formula: C7H7N3O4
• Molecular Weight: 197.15
• DSSTox Substance ID: DTXSID40484744
• Wikidata: Q82323347

Synonyms:Benzenamine, N-methyl-3,4-dinitro-;61149-80-2;DTXSID40484744

Chemical Property of Benzenamine, N-methyl-3,4-dinitro-

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 197.04365571
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Benzenamine, N-methyl-3,4-dinitro-

There total 5 articles about Benzenamine, N-methyl-3,4-dinitro- 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: 60.0%

3,4-dinitro-chlorobenzene (610-40-2) + methylamine (74-89-5) → 4-chloro-2-methylaminonitrobenzene (35966-84-8) + N-methyl-3,4-dinitroaniline (61149-80-2)

Guidance literature:

In methanol; at 20 ℃; for 3h;

DOI:10.1007/s11178-005-0043-z

Reference yield:

N,N-dimethyl-3,4-dinitroaniline (35998-95-9) → N-methyl-3,4-dinitroaniline (61149-80-2)

Guidance literature:

With chromic acid; acetic acid;

Reference yield:

N-methyl-N-(3-nitrophenyl)-nitramine (55739-03-2) → N-methyl-2,3-dinitroaniline (73902-50-8) + N-methyl-3,4-dinitroaniline (61149-80-2) + N-methyl-2,5-dinitroaniline (61149-79-9)

Guidance literature:

With sulfuric acid;

DOI:10.1134/S1070363206010142

upstream raw materials:

N,N-dimethyl-3,4-dinitroaniline

acetic acid

3,4-dinitro-chlorobenzene

methylamine

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