5-Methyl-2,4,6-trinitrobenzene-1,3-diamine

Base Information

• Chemical Name: 5-Methyl-2,4,6-trinitrobenzene-1,3-diamine
• CAS No.: 73334-04-0
• Molecular Formula: C7H7N5O6
• Molecular Weight: 257.16000
• DSSTox Substance ID: DTXSID30503190
• Nikkaji Number: J452.355E
• Wikidata: Q82356812
• Mol file: 73334-04-0.mol

Synonyms:73334-04-0;5-methyl-2,4,6-trinitrobenzene-1,3-diamine;SCHEMBL8151295;DTXSID30503190;AKOS015996089

Chemical Property of 5-Methyl-2,4,6-trinitrobenzene-1,3-diamine

Chemical Property:

• Vapor Pressure: 1.14E-11mmHg at 25°C
• Boiling Point: 538.6oC at 760 mmHg
• Flash Point: 279.5oC
• PSA: 189.50000
• Density: 1.763g/cm3
• LogP: 3.61600
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 257.03963296
• Heavy Atom Count: 18
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-]

Technology Process of 5-Methyl-2,4,6-trinitrobenzene-1,3-diamine

There total 14 articles about 5-Methyl-2,4,6-trinitrobenzene-1,3-diamine 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: 80.0%

3,5-dimethoxy-2,4,6-trinitrotoluene (66414-56-0) → 3,5-Diamino-2,4,6-trinitrotoluene (73334-04-0)

Guidance literature:

With ammonia; In methanol; for 1.5h; Ambient temperature;

DOI:10.1055/s-1992-26082

Reference yield: 74.0%

2,3,4,5,6-pentanitrotoluene (73334-00-6) → 3,5-Diamino-2,4,6-trinitrotoluene (73334-04-0)

Guidance literature:

With ammonia dioxane; In tetrahydrofuran; for 0.166667h; Ambient temperature;

DOI:10.1021/jo00367a003

Reference yield: 67.0%

3-amino-2,4,56-tetranitrotoluene (84432-56-4) → 3,5-Diamino-2,4,6-trinitrotoluene (73334-04-0)

Guidance literature:

With ammonia; In 1,4-dioxane; for 0.0833333h;

DOI:10.1021/jo00367a003

upstream raw materials:

1,3-dibromo-5-methyl-2,4,6-trinitro-benzene

3,5-dimethoxy-2,4,6-trinitrotoluene

2,3,4,5,6-pentanitrotoluene

3-amino-2,4,56-tetranitrotoluene

Downstream raw materials:

3,5-Diacetamido-2,4,6-trinitrotoluene

3,5-Bis(diacetylamino)-2,4,6-trinitrotoluene

2,3,4,5,6-pentanitrotoluene

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