2,4,6-Trinitro-N-(4-nitrophenyl)aniline

Base Information

• Chemical Name: 2,4,6-Trinitro-N-(4-nitrophenyl)aniline
• CAS No.: 38417-97-9
• Molecular Formula: C12H7 N5 O8
• Molecular Weight: 349.216
• Hs Code.: 2921420090
• European Community (EC) Number: 253-920-1
• DSSTox Substance ID: DTXSID30191753
• Nikkaji Number: J142.052F
• Mol file: 38417-97-9.mol

Synonyms:2,4,6-Trinitro-N-(4-nitrophenyl)aniline;38417-97-9;EINECS 253-920-1;2,4,4',6-Tetranitrodiphenylamine;Benzenamine, 2,4,6-trinitro-N-(4-nitrophenyl)-;SCHEMBL11148926;DTXSID30191753;2,4,6-Trinitro-N-(4-nitrophenyl)aniline #;2,4,6-Trinitro-N-(4-nitrophenyl)benzenamine;SR-01000196345;SR-01000196345-1

Chemical Property of 2,4,6-Trinitro-N-(4-nitrophenyl)aniline

Chemical Property:

• Vapor Pressure: 4.7E-10mmHg at 25°C
• Boiling Point: 498°Cat760mmHg
• Flash Point: 255°C
• PSA: 195.31000
• Density: 1.721g/cm³
• LogP: 5.22880
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 349.02946220
• Heavy Atom Count: 25
• Complexity: 518

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,4,6-Trinitro-N-(4-nitrophenyl)aniline

There total 8 articles about 2,4,6-Trinitro-N-(4-nitrophenyl)aniline 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: 76.0%

2,4,6-trinitrochlorobenzene (88-88-0) + 4-nitro-aniline (100-01-6,104810-17-5) → N-(p-nitrophenyl)picrylamine (38417-97-9)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 24h; Cooling with ice;

DOI:10.1007/s00706-020-02690-7

Reference yield:

trinitro-2,4,6 diphenylamine (2919-12-2) → 2,4,6,2'-tetranitrodiphenylamine (38229-29-7) + N-(p-nitrophenyl)picrylamine (38417-97-9)

Guidance literature:

With acetic acid; durch Nitrieren;

Reference yield:

trinitro-2,4,6 diphenylamine (2919-12-2) + nitric acid (7697-37-2,78989-43-2) + acetic acid (64-19-7,77671-22-8) → 2,4,6,2'-tetranitrodiphenylamine (38229-29-7) + N-(p-nitrophenyl)picrylamine (38417-97-9)

Guidance literature:

upstream raw materials:

trinitro-2,4,6 diphenylamine

2,4,6-trinitrochlorobenzene

4-nitro-aniline

nitric acid

Downstream raw materials:

(2,4-dinitro-phenyl)-picryl-amine

Dipikrylamin

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