2,3,6-Trinitrophenol

Base Information

• Chemical Name: 2,3,6-Trinitrophenol
• CAS No.: 603-10-1
• Molecular Formula: C6H3 N3 O7
• Molecular Weight: 229.106
• European Community (EC) Number: 625-670-7
• DSSTox Substance ID: DTXSID70209048
• Nikkaji Number: J134.719E
• Wikidata: Q27126416
• Metabolomics Workbench ID: 60373
• Mol file: 603-10-1.mol

Synonyms:2,3,6-Trinitrophenol;603-10-1;Phenol, 2,3,6-trinitro-;CHEBI:59049;2,3,6-Trinitro-phenol;Epitope ID:136774;DIMETHYLMETHOXYMALONATE;SCHEMBL4958698;DTXSID70209048;AKOS015888281;FT-0632498;Q27126416

Chemical Property of 2,3,6-Trinitrophenol

Chemical Property:

• Vapor Pressure: 5.2E-05mmHg at 25°C
• Melting Point: 119-120 °C(lit.)
• Boiling Point: 337.9°C at 760 mmHg
• Flash Point: 151.1°C
• PSA: 157.69000
• Density: 1.856g/cm³
• LogP: 2.68640
• XLogP3: 1.7
• 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:

98%,99%, ^*data from raw suppliers

2,3,6-TRINITROPHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 1-4-11-24/25
• Safety Statements: 7-16-35-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]
• Uses: 2,3,6-Trinitrophenol is a useful reactant and reagent in organic reactions.

Technology Process of 2,3,6-Trinitrophenol

There total 6 articles about 2,3,6-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:

2,3-dinitrophenol (66-56-8) → 2,3,6-trinitrophenol (603-10-1)

Guidance literature:

Reference yield:

2,5-dinitrophenol (329-71-5) → 2,3,6-trinitrophenol (603-10-1)

Guidance literature:

beim Nitrieren;

Reference yield:

meta-nitrophenol (554-84-7) → 2,3,6-trinitrophenol (603-10-1)

Guidance literature:

Multi-step reaction with 2 steps

1: durch Nitrieren

2: beim Nitrieren

upstream raw materials:

2,5-dinitrophenol

2,3-dinitrophenol

meta-nitrophenol

Downstream raw materials:

styphnic acid