2,6-Dinitro-p-cresol

Base Information

• Chemical Name: 2,6-Dinitro-p-cresol
• CAS No.: 609-93-8
• Molecular Formula: C7H6N2O5
• Molecular Weight: 198.135
• European Community (EC) Number: 210-203-8
• NSC Number: 33870
• UNII: L572BVH6NF
• DSSTox Substance ID: DTXSID9027239
• Nikkaji Number: J27.367H
• Wikidata: Q27282735
• ChEMBL ID: CHEMBL3183545
• Mol file: 609-93-8.mol

Synonyms:2,6-dinitro-p-cresol

Chemical Property of 2,6-Dinitro-p-cresol

Chemical Property:

• Appearance/Colour: yellow-orange flakes
• Vapor Pressure: 4.93E-05mmHg at 25°C
• Melting Point: 77-79 °C
• Refractive Index: 1.639
• Boiling Point: 270.4 °C at 760 mmHg
• PKA: 4.03±0.10(Predicted)
• Flash Point: 117.7 °C
• PSA: 111.87000
• Density: 1.55 g/cm³
• LogP: 2.56340
• Water Solubility.: Insoluble in water
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 198.02767130
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

2,6-Dinitro-p-cresol (wetted with ca. 20% Water) (unit weight on dry weight basis) >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36/37/38-33-23/24/25
• Safety Statements: 26-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrophenols
• Canonical SMILES: CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
• Uses: Uses are the same as those of the isomer 4,6-dinitro-o-cresol.

Technology Process of 2,6-Dinitro-p-cresol

There total 87 articles about 2,6-Dinitro-p-cresol 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:

p-cresol (106-44-5) → 2,6-dinitro-p-cresol (609-93-8) + 4-hydroxy-5-nitro-toluene-3-sulfonic acid (35379-88-5)

Guidance literature:

With sulfuric acid; Behandeln des erkalteten Reaktionsgemischs mit Salpetersaeure;

Reference yield:

p-cresol (106-44-5) → 4-methyl-2-nitrophenol (119-33-5) + 2,6-dinitro-p-cresol (609-93-8) + acetic acid (64-19-7,77671-22-8) + propionic acid (802294-64-0,79-09-4)

Guidance literature:

beim Nitrieren;

Reference yield:

p-fluorotoluene (352-32-9) → 2,6-dinitro-p-cresol (609-93-8)

Guidance literature:

With tetrachloromethane; nitric acid; phosphorus pentoxide; at -5 ℃;

upstream raw materials:

pyridine

p-cresol

diethyl ether

ethanol

Downstream raw materials:

2,6-dinitro-4-methylanisole

4-(4-methyl-2,6-dinitro-anilino)-phenol

3,5-Dinitro-4-chlorotoluene

4-methyl-2,6-dinitroaniline