2,4,5-Trinitrophenol

Base Information

• Chemical Name: 2,4,5-Trinitrophenol
• CAS No.: 610-26-4
• Molecular Formula: C₆H₃N₃O₇
• Molecular Weight: 229.106
• DSSTox Substance ID: DTXSID80976476
• Nikkaji Number: J134.718G
• Wikidata: Q82961379
• Mol file: 610-26-4.mol

Synonyms:2,4,5-Trinitrophenol;610-26-4;2,4,5-Trinitro-phenol;SCHEMBL227018;DTXSID80976476

Chemical Property of 2,4,5-Trinitrophenol

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 228.99709944
• Heavy Atom Count: 16
• Complexity: 316

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(=CC(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,4,5-Trinitrophenol

There total 7 articles about 2,4,5-Trinitrophenol 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: 56.0%

m-nitrobenzene boronic acid (13331-27-6) → 2,4,5-trinitrophenol (610-26-4)

Guidance literature:

With dipotassium peroxodisulfate; copper(II) nitrate trihydrate; In acetonitrile; at 70 ℃; for 20h; Inert atmosphere; Irradiation; Green chemistry;

DOI:10.1055/s-0037-1610038

Reference yield:

2-hydroxynitrobenzene (88-75-5,78813-12-4) → 2,5-dinitrophenol (329-71-5) + 2,4,5-trinitrophenol (610-26-4)

Guidance literature:

With nitrosylsulfuric acid; nitric acid;

DOI:10.1557/JMR.2000.0090

Reference yield:

2,5-dinitrophenol (329-71-5) → styphnic acid (82-71-3) + 2,4,5-trinitrophenol (610-26-4) + 2,3,6-trinitrophenol (603-10-1)

Guidance literature:

beim Nitrieren;

upstream raw materials:

2,4-dichloro-1,5-dinitrobenzene

2,5-dinitrophenol

3,4-dinitophenol

2-hydroxynitrobenzene

Downstream raw materials:

styphnic acid

2,4,5-trinitrochlorobenzene