2,4,6-Trinitrophenyl nitramine

Base Information

• Chemical Name: 2,4,6-Trinitrophenyl nitramine
• CAS No.: 4591-46-2
• Molecular Formula: C6H3 N5 O8
• Molecular Weight: 273.119
• DSSTox Substance ID: DTXSID00196654
• Wikidata: Q83069677
• Mol file: 4591-46-2.mol

Synonyms:2,4,6-Trinitrophenyl nitramine;2,4,6-Trinitrophenyl nitramine [Forbidden];4591-46-2;SCHEMBL225443;DTXSID00196654

Chemical Property of 2,4,6-Trinitrophenyl nitramine

Chemical Property:

• Vapor Pressure: 5.95E-08mmHg at 25°C
• Refractive Index: 1.9000 (estimate)
• Boiling Point: 440.3°C at 760 mmHg
• Flash Point: 220.1°C
• PSA: 195.31000
• Density: 1.941g/cm³
• LogP: 3.18060
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 272.99816207
• Heavy Atom Count: 19
• Complexity: 380

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,6-Trinitrophenyl nitramine

There total 11 articles about 2,4,6-Trinitrophenyl nitramine 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:

4-nitro-aniline (100-01-6,104810-17-5) → picramide (489-98-5) + trinitrophenylnitramine (4591-46-2) + 2,4,6-Trinitrophenol (88-89-1)

Guidance literature:

Reference yield:

sulfuric acid (7664-93-9) + 2-nitro-aniline (88-74-4) → picramide (489-98-5) + trinitrophenylnitramine (4591-46-2) + 2,4,6-Trinitrophenol (88-89-1)

Guidance literature:

Reference yield:

4-nitro-aniline (100-01-6,104810-17-5) → picramide (489-98-5) + trinitrophenylnitramine (4591-46-2)

Guidance literature:

With sulfuric acid; potassium nitrate; at 0 ℃; for 1h; Overall yield = 48 %; Overall yield = 1.58 g; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201611189

upstream raw materials:

picramide

4-amino-3,5-dinitro-benzenesulfonic acid

4-nitro-aniline

4-aminobenzene sulfonic acid

Downstream raw materials:

tetryl

picramide

Refernces

• 1、 Eberle, Benjamin,Kaifer, Elisabeth,Himmel, Hans-J?rg. "A Stable Hexakis(guanidino)benzene: Realization of the Strongest Neutral Organic Four-Electron Donor". supporting information. p. 3360 - 3363. Retrieved 2017/03/17.