4-Methoxy-3,5-dinitrotoluene

Base Information

• Chemical Name: 4-Methoxy-3,5-dinitrotoluene
• CAS No.: 29455-11-6
• Molecular Formula: C8H8N2O5
• Molecular Weight: 212.162
• Hs Code.: 2909309090
• European Community (EC) Number: 677-533-6
• NSC Number: 89790
• DSSTox Substance ID: DTXSID80293473
• Nikkaji Number: J2.295.124F
• Wikidata: Q82032216
• Mol file: 29455-11-6.mol

Synonyms:4-Methoxy-3,5-dinitrotoluene;29455-11-6;2,6-Dinitro-4-methylanisole;2-Methoxy-5-methyl-1,3-dinitrobenzene;Benzene, 2-methoxy-5-methyl-1,3-dinitro-;1-Methoxy-4-methyl-2,6-dinitrobenzene;2,6-Dinitro-4-methyl anisole;NSC89790;NCIOpen2_006281;4-Methyl-2,6-dinitroanisole;SCHEMBL4653538;DTXSID80293473;MFCD00192097;NSC-89790;AKOS025402721;AS-47926;2-Methoxy-5-methyl-1,3-dinitrobenzene #;M1842;F17015

Chemical Property of 4-Methoxy-3,5-dinitrotoluene

Chemical Property:

• Appearance/Colour: YELLOW POWDER.
• Vapor Pressure: 2.62E-05mmHg at 25°C
• Melting Point: 124 °C
• Refractive Index: 1.577
• Boiling Point: 368.9 °C at 760 mmHg
• Flash Point: 182.9 °C
• PSA: 100.87000
• Density: 1.383 g/cm³
• LogP: 2.86640
• Solubility.: soluble in Toluene
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 212.04332136
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

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

4-Methoxy-3,5-dinitrotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxy-3,5-dinitrotoluene

There total 12 articles about 4-Methoxy-3,5-dinitrotoluene 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-methylanizole (104-93-8) → 4-methoxy-3-nitrotoluene (119-10-8) + 2,6-dinitro-p-cresol (609-93-8) + 2,6-dinitro-4-methylanisole (29455-11-6)

Guidance literature:

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2,6-dinitro-p-cresol (609-93-8) → 2,6-dinitro-4-methylanisole (29455-11-6)

Guidance literature:

Reference yield:

4-methoxy-3-nitrotoluene (119-10-8) → 2,6-dinitro-4-methylanisole (29455-11-6) + (Z)-3-methoxy-6-methyl-4,6-dinitrocyclohexa-2,4-dienyl acetate (112251-87-3) + (Z)-3-methoxy-6-methyl-2,6-dinitrocyclohexa-2,4-dienyl acetate (112251-89-5,112251-98-6)

Guidance literature:

With nitric acid; acetic anhydride; at 0 ℃; for 1h;

upstream raw materials:

diazomethane

2,6-dinitro-p-cresol

p-methylanizole

methanol

Downstream raw materials:

2-methoxy-3-nitro-5-methylaniline

N-(4-methyl-2,6-dinitro-phenyl)-hydroxylamine

2,6-dinitro-4-methyl-N-(β-hydroxypropyl)-aniline

2,6-dinitro-4-methyl-N-(β,γ-dihydroxypropyl)-aniline