2,4,6-Trinitro-m-toluidine

Base Information

• Chemical Name: 2,4,6-Trinitro-m-toluidine
• CAS No.: 22603-58-3
• Molecular Formula: C7H6 N4 O6
• Molecular Weight: 242.148
• European Community (EC) Number: 654-549-1
• NSC Number: 80654
• UNII: 8W8W9WZ1P2
• DSSTox Substance ID: DTXSID00177125
• Nikkaji Number: J344.088E
• Wikidata: Q83047430
• Mol file: 22603-58-3.mol

Synonyms:2,4,6-Trinitro-m-toluidine;3-methyl-2,4,6-trinitroaniline;CCRIS 5344;22603-58-3;m-Toluidine, 2,4,6-trinitro-;NSC 80654;BRN 2160156;Benzenamine, 3-methyl-2,4,6-trinitro-;8W8W9WZ1P2;3-Methyl-2,4,6-trinitrobenzenamine;NSC-80654;Benzenamine, 3-methyl-2,4,6-trinitro- (9CI);3-12-00-02016 (Beilstein Handbook Reference);UNII-8W8W9WZ1P2;SCHEMBL1828689;DTXSID00177125;NSC80654;LS-154421

Chemical Property of 2,4,6-Trinitro-m-toluidine

Chemical Property:

• Vapor Pressure: 8.32E-08mmHg at 25°C
• Boiling Point: 436.1°Cat760mmHg
• Flash Point: 217.5°C
• Density: 1.687g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 242.02873392
• Heavy Atom Count: 17
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,6-Trinitro-m-toluidine

There total 17 articles about 2,4,6-Trinitro-m-toluidine 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: 50.0%

Ethyl N-(3-methyl-2,4,6-trinitrophenyl)carbamate (128066-32-0) → 3-amino-2,4,6-trinitrotoluene (22603-58-3)

Guidance literature:

With sulfuric acid; at 90 - 95 ℃; for 6h;

DOI:10.1021/jo00086a020

Reference yield:

1-chloro-3-methyl-2,4,6-trinitrobenzene (1084-17-9) → 3-amino-2,4,6-trinitrotoluene (22603-58-3)

Guidance literature:

With ethanol; ammonia;

Reference yield:

carbamic acid, (3-methyphenyl)-, ethyl ester (6135-33-7) → 3-amino-2,4,6-trinitrotoluene (22603-58-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / 100percent HNO₃, conc. H₂SO₄ / 1.) 25 deg C, 0.5 h, 2.) 40 deg C, 2 h

2: 50 percent / 80percent H₂SO₄ / 6 h / 90 - 95 °C

With sulfuric acid; nitric acid;

DOI:10.1021/jo00086a020

upstream raw materials:

1-chloro-3-methyl-2,4,6-trinitrobenzene

3-methyl-2,4,6-trinitro-anisole

3-bromo-2,4,6-trinitro-toluene

3-methyl-2,4,6-trinitro-phenetole

Downstream raw materials:

2,3,4,6-Tetranitrotoluene

N,N-Dimethyl-N'-(3-methyl-2,4,6-trinitro-phenyl)-formamidine

3-methyl-2,4,6-trinitrophenol

ammonia