2,3,5-Trinitrotoluene

Base Information

• Chemical Name: 2,3,5-Trinitrotoluene
• CAS No.: 609-74-5
• Molecular Formula: C7H5N3O6
• Molecular Weight: 227.133
• Hs Code.: 2904204000
• DSSTox Substance ID: DTXSID80209736
• Nikkaji Number: J134.720I
• Wikidata: Q83084147
• Mol file: 609-74-5.mol

Synonyms:2,3,5-Trinitrotoluene;609-74-5;1-methyl-2,3,5-trinitrobenzene;Benzene, 1-methyl-2,3,5-trinitro-;2.3.5-Trinitro-toluol;SCHEMBL3180955;DTXSID80209736;FT-0609464;Benzenebutanoic acid, 4-bromo-.alpha.,.gamma.-dioxo-, ethyl ester

Chemical Property of 2,3,5-Trinitrotoluene

Chemical Property:

• Vapor Pressure: 2.08E-06mmHg at 25°C
• Refractive Index: 1.637
• Boiling Point: 405.2 °C at 760 mmHg
• Flash Point: 213.5 °C
• PSA: 137.46000
• Density: 1.608 g/cm³
• LogP: 3.28920
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 227.01783489
• Heavy Atom Count: 16
• Complexity: 316

Purity/Quality:

98%Min ^*data from raw suppliers

2,3,5-TRINITROTOLUENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,5-Trinitrotoluene

There total 14 articles about 2,3,5-Trinitrotoluene 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:

3,5-dinitrotoluene (618-85-9) → 1-methyl-2,3,5-trinitrobenzene (609-74-5)

Guidance literature:

With sulfuric acid; nitric acid; at 93 - 103 ℃;

Reference yield:

2-methyl-4,6-dinitroaniline (7477-94-3) → 1-methyl-2,3,5-trinitrobenzene (609-74-5)

Guidance literature:

With dinitrogen trioxide; nitric acid; at 0 ℃; Behandeln des Diazoniumnitrats mit NaNO₂ und Erwaermen des Reaktionsprodukts mit Salpetersaeure;

Reference yield:

3,5-dinitrotoluene (618-85-9) → 3,4,5-trinitrotoluene (603-15-6) + 1-methyl-2,3,5-trinitrobenzene (609-74-5)

Guidance literature:

With sulfuric acid; nitric acid; at 93 - 103 ℃;

upstream raw materials:

3,5-dinitrotoluene

2-methyl-4,6-dinitroaniline

sulfuric acid

nitric acid

Downstream raw materials:

3,5-dinitrotoluene

2-amino-3,5-dinitro-benzoic acid

2-Ethoxy-3,5-dinitro-benzoesaeure

3,5-dinitrosalicylic acid