1,2,4,5-Tetramethyl-3,6-dinitrobenzene

Base Information

• Chemical Name: 1,2,4,5-Tetramethyl-3,6-dinitrobenzene
• CAS No.: 5465-13-4
• Molecular Formula: C10H12 N2 O4
• Molecular Weight: 224.216
• Hs Code.: 2904209090
• European Community (EC) Number: 226-766-8
• NSC Number: 28984
• DSSTox Substance ID: DTXSID10203106
• Nikkaji Number: J208.392B
• Wikidata: Q83076467
• Mol file: 5465-13-4.mol

Synonyms:Dinitrodurene;5465-13-4;1,2,4,5-Tetramethyl-3,6-dinitrobenzene;1,2,4,5-tetramethyl-3,6-dinitro-benzene;EINECS 226-766-8;1,4-Dinitro-2,3,5,6-tetramethylbenzene;3,2,4,5-tetramethylbenzene;NSC28984;SCHEMBL7592620;DTXSID10203106;AMY25158;MFCD00007164;NSC 28984;NSC-28984;AKOS015917618;2,3,5,6-Tetramethyl-p-dinitrobenzene;1,4,5-Tetramethyl-3,6-dinitrobenzene;PS-10453;Benzene,2,4,5-tetramethyl-3,6-dinitro-;CS-0206273;D1661;FT-0635743;Benzene, 1,2,4,5-tetramethyl-3,6-dinitro-;D89904;1,4-Dinitro-2,3,5,6-tetramethylbenzene 97+%;A830290

Chemical Property of 1,2,4,5-Tetramethyl-3,6-dinitrobenzene

Chemical Property:

• Appearance/Colour: light yellow to beige fine powder
• Vapor Pressure: 3.79E-05mmHg at 25°C
• Melting Point: 210 °C
• Refractive Index: 1.6620 (estimate)
• Boiling Point: 363.4°Cat760mmHg
• Flash Point: 172.9°C
• PSA: 91.64000
• Density: 1.258g/cm³
• LogP: 3.78300
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 224.07970687
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

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

Dinitrodurene >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S24/25:Avoid contact with skin and eyes.; S37/39:Wear suitable gloves and eye/face protection.

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2,4,5-Tetramethyl-3,6-dinitrobenzene

There total 9 articles about 1,2,4,5-Tetramethyl-3,6-dinitrobenzene 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: 97.6%

2,3,5,6-tetramethylnitrobenzene (3463-36-3) → dinitrodurene (5465-13-4)

Guidance literature:

With sulfuric acid; nitric acid; at 25 ℃; for 0.05h;

Reference yield: 95.2%

1,2,4,5-tetramethylbenzene (95-93-2) → dinitrodurene (5465-13-4)

Guidance literature:

With sulfuric acid; nitric acid; at 25 ℃; for 0.0277778h;

Reference yield: 71.0%

1,2,4,5-tetramethylbenzene (95-93-2) → dinitrodurene (5465-13-4) + 2,3,5,6-tetramethylnitrobenzene (3463-36-3) + 2,4,5-trimethylbenzoic acid (528-90-5)

Guidance literature:

With Nitrogen dioxide; In various solvent(s); at 20 ℃; for 0.5h; Title compound not separated from byproducts; in the dark;

DOI:10.3891/acta.chem.scand.50-0991

upstream raw materials:

1,2,4,5-tetramethylbenzene

2,3,5,6-tetramethylnitrobenzene

nitric acid

1,2,4,5-tetramethylcyclohexane

Downstream raw materials:

2,4,5-trimethyl-3,6-dinitrobenzoic acid

tetramethyl-p-phenylenediamine

2,3,5,6-tetramethyl-4-amino-1-nitrobenzene

p-Fluoronitrodurene

Refernces

• 1、 Butts, Craig P.,Eberson, Lennart,Fulton, Karen L.,Hartshorn, Michael P.,Robinson, Ward T.,Timmerman-Vaughan, David J.. "Photochemical nitration by tetranitromethane. Part XXXIII. Adduct formation in the photochemical reactions of 1,2,4,5- and 1,2,3,5-tetramethylbenzene". . p. 991 - 1008. Retrieved 2007/10/03.