3-Methyl-2,6-dinitrophenol

Base Information

• Chemical Name: 3-Methyl-2,6-dinitrophenol
• CAS No.: 603-03-2
• Molecular Formula: C₇H₆N₂O₅
• Molecular Weight: 198.135
• European Community (EC) Number: 653-684-3
• NSC Number: 158336
• DSSTox Substance ID: DTXSID90303436
• Nikkaji Number: J134.624E
• Wikidata: Q82048724
• Mol file: 603-03-2.mol

Synonyms:3-methyl-2,6-dinitrophenol;Phenol, methyl-2,6-dinitro-;92657-68-6;NSC158336;SCHEMBL3683680;DTXSID90303436;AKOS024333790;NSC-158336;603-03-2

Chemical Property of 3-Methyl-2,6-dinitrophenol

Chemical Property:

• Vapor Pressure: 0.00518mmHg at 25°C
• Boiling Point: 266.7°Cat760mmHg
• Flash Point: 115.7°C
• Density: 1.55g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 198.02767130
• Heavy Atom Count: 14
• Complexity: 245

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

Technology Process of 3-Methyl-2,6-dinitrophenol

There total 5 articles about 3-Methyl-2,6-dinitrophenol 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:

2,3,4-trinitrotoluene (602-29-9) → 2,6-Dinitro-3-methylphenol (603-03-2)

Guidance literature:

With alkalies;

Reference yield:

3-methyl-phenol (108-39-4) → 2,6-Dinitro-3-methylphenol (603-03-2)

Guidance literature:

With sulfuric acid; nitric acid; Behandeln unter starker Kuehlung und Erhitzen des Reaktionsgemisches mit Wasser unter Durchleiten von ueberhitzten Wasserdampf;

Reference yield:

1-methyl-2,3-dinitrobenzene (602-01-7) → 2,6-Dinitro-3-methylphenol (603-03-2)

Guidance literature:

Multi-step reaction with 2 steps

1: fuming sulfuric acid; nitric acid / 95 °C

2: lead oxide; alcohol

With ethanol; sulfuric acid; nitric acid; lead(II) oxide;

upstream raw materials:

2,3,4-trinitrotoluene

2.4-dinitro-6-amino-3-oxy-toluene

3-methyl-phenol

1-methyl-2,3-dinitrobenzene

Downstream raw materials:

3-methyl-2,6-dinitro-anisole