2,4-Dinitro-5-methylphenol

Base Information

• Chemical Name: 2,4-Dinitro-5-methylphenol
• CAS No.: 616-73-9
• Molecular Formula: C7H6 N2 O5
• Molecular Weight: 198.135
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID9073919
• Nikkaji Number: J67.712D
• Wikidata: Q82002496
• Mol file: 616-73-9.mol

Synonyms:3-Methyl-4,6-dinitrophenol;616-73-9;2,4-DINITRO-5-METHYLPHENOL;5-Methyl-2,4-dinitro-phenol;4,6-Dinitro-m-cresol;m-Cresol, 4,6-dinitro-;BRN 2121129;Phenol, 5-methyl-2,4-dinitro-;3-06-00-01329 (Beilstein Handbook Reference);5-methyl-2,4-dinitrophenol;4,6-Dinitro-3-methylphenol;SCHEMBL8580180;DTXSID9073919;GEO-01813;MFCD01733992;AKOS006280174;LS-55387;FT-0616084;W-200460

Chemical Property of 2,4-Dinitro-5-methylphenol

Chemical Property:

• Vapor Pressure: 6.61E-05mmHg at 25°C
• Refractive Index: 1.5460 (estimate)
• Boiling Point: 334.4°C at 760 mmHg
• Flash Point: 150.2°C
• PSA: 111.87000
• Density: 1.55g/cm³
• LogP: 2.56340
• 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%Min ^*data from raw suppliers

3-METHYL-4,6-DINITROPHENOL 95.00% ^*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-])[N+](=O)[O-])O

Technology Process of 2,4-Dinitro-5-methylphenol

There total 12 articles about 2,4-Dinitro-5-methylphenol 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: 46.0%

3-methyl-phenol (108-39-4) → 2-nitro-5-methylphenol (700-38-9) + 4,6-dinitro-3-hydroxytoluene (616-73-9)

Guidance literature:

With zirconyl nitrate; In acetone; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2006.02.057

Reference yield: 22.0%

3-methyl-phenol (108-39-4) → 2-nitro-5-methylphenol (700-38-9) + 4,6-dinitro-3-hydroxytoluene (616-73-9) + 3-methyl-2,4-dinitrophenol (1817-66-9)

Guidance literature:

With ammonium cerium(IV) nitrate; dihydrogen peroxide; In water; for 1h; Ambient temperature;

Reference yield:

3-methyl-phenol (108-39-4) → 3-methyl-2,4,6-trinitrophenol (602-99-3) + 4,6-dinitro-3-hydroxytoluene (616-73-9)

Guidance literature:

With dinitrogen tetraoxide; Behandeln ohne Kuehlung;

upstream raw materials:

2-nitro-5-methylphenol

2,4,5-trinitrotoluene

1-chloro-5-methyl-2,4-dinitrobenzene

5-amino-2,4-dinitrotoluene

Downstream raw materials:

toluene-4-sulfonic acid-(5-methyl-2,4-dinitro-phenyl ester)

5-methyl-2,4-dinitro-phenetole

2-bromo-3-methyl-4,6-dinitro-phenol

Refernces

• 1、 -. "Selective nitration of phenol derivatives". . . Retrieved 2008/06/13.
• 2、 Chakrabarty, K,Chawla, H M,Suresh, V V. "Reaction of cerium(IV) ammonium nitrate with simple phenols in a silica gel matrix". . p. 464 - 466. Retrieved 2007/10/02.