4-Methyl-2,5-dinitrophenol

Base Information

• Chemical Name: 4-Methyl-2,5-dinitrophenol
• CAS No.: 20294-52-4
• Molecular Formula: C7H6N2O5
• Molecular Weight: 198.135
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID50548861
• Wikidata: Q72490297
• Mol file: 20294-52-4.mol

Synonyms:4-Methyl-2,5-dinitrophenol;20294-52-4;2,5-DINITRO-4-METHYLPHENOL;Phenol, 4-methyl-2,5-dinitro-;4-methyl-2, 5-dinitrophenol;SCHEMBL11547714;DTXSID50548861;AKOS016012060;CS-0336541

Chemical Property of 4-Methyl-2,5-dinitrophenol

Chemical Property:

• Melting Point: 112-113℃
• Boiling Point: 321.4±42.0 °C(Predicted)
• PKA: 5.68±0.24(Predicted)
• PSA: 111.87000
• Density: 1.550±0.06 g/cm3(Predicted)
• LogP: 2.56340
• Storage Temp.: Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• 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:

98% ^*data from raw suppliers

4-methyl-2,5-dinitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methyl-2,5-dinitrophenol

There total 3 articles about 4-Methyl-2,5-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: 47.2%

p-cresol (106-44-5) → 2,6-dinitro-p-cresol (609-93-8) + 2.5-dinitro-p-cresol (20294-52-4)

Guidance literature:

With (NH₄)2Ce(NO₃)6 on pillared bentonite; In methanol; at 25 ℃; for 48h;

DOI:10.1080/00304940509354971

Reference yield:

4-methyl-5-nitrophenol (2042-14-0) → 2.5-dinitro-p-cresol (20294-52-4)

Guidance literature:

With nitric acid; acetic acid; at 18 - 25 ℃;

Reference yield:

→ 2.5-dinitro-p-cresol (20294-52-4)

Guidance literature:

upstream raw materials:

4-methyl-5-nitrophenol

p-cresol

Downstream raw materials:

4-methyl-2,5-dinitroanisole

2-methyl-5-methoxy-1,4-phenylenediamine

1,2-dimethoxy-4-methyl-5-nitrobenzene