4,6-DINITRO-1,3-XYLENE

Base Information

• Chemical Name: 4,6-DINITRO-1,3-XYLENE
• CAS No.: 616-72-8
• Molecular Formula: C8H8 N2 O4
• Molecular Weight: 196.163
• Hs Code.: 2904209090
• European Community (EC) Number: 210-488-9
• NSC Number: 20550
• UNII: MT5AZC48R8
• DSSTox Substance ID: DTXSID80210605
• Nikkaji Number: J107.271D
• Wikidata: Q83085364
• Mol file: 616-72-8.mol

Synonyms:m-Xylene,4,6-dinitro- (7CI,8CI); 1,3-Dimethyl-4,6-dinitrobenzene;1,5-Dimethyl-2,4-dinitrobenzene; 4,6-Dinitro-1,3-dimethylbenzene;4,6-Dinitro-m-xylene; NSC 20550

Chemical Property of 4,6-DINITRO-1,3-XYLENE

Chemical Property:

• Vapor Pressure: 0.000549mmHg at 25°C
• Melting Point: 93-94 °C
• Boiling Point: 321.8°C at 760 mmHg
• Flash Point: 156°C
• PSA: 91.64000
• Density: 1.346g/cm³
• LogP: 3.16620
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 196.04840674
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

98%min ^*data from raw suppliers

1,5-Dimethyl-2,4-dinitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4,6-DINITRO-1,3-XYLENE

There total 23 articles about 4,6-DINITRO-1,3-XYLENE 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: 86.0%

→ 4,6-dinitro-m-xylene (616-72-8)

Guidance literature:

With nitric acid; at 0 - 20 ℃;

DOI:10.1139/V06-094

Reference yield: 75.0%

2,4-dimethylnitrobenzene (89-87-2,156617-89-9,37551-97-6) → 4,6-dinitro-m-xylene (616-72-8)

Guidance literature:

With sulfuric acid; nitric acid; In water; for 1h;

DOI:10.1021/ol0526322

Reference yield: 57.0%

m-xylene (108-38-3,104809-90-7) → 4,6-dinitro-m-xylene (616-72-8) + 2,4-dinitro-m-xylene (603-02-1)

Guidance literature:

With Iron(III) nitrate nonahydrate; phosphorus pentoxide; In neat (no solvent); at 20 ℃; for 6h; Milling; Green chemistry;

DOI:10.1016/j.tetlet.2021.153087

upstream raw materials:

ethanol

(5-methyl-2,4-dinitro-phenyl)-acetic acid

(4,6-dinitro-m-phenylene)-di-acetic acid

m-xylene

Downstream raw materials:

1,5-di[2-(4'-hydroxy-3'-methoxyphenyl)ethenyl]-2,4-dinitrobenzene

C₂₄H₂₀N₂O₈

4,6-diphenethyl-m-phenylenediamine

2,4-dimethyl-benzene-1,3,5-triyltriamine

Refernces

• 1、 Lunchev, Andrey V.,Morris, Samuel A.,Ganguly, Rakesh,Grimsdale, Andrew C.. "Synthesis and Electronic Properties of Novel 5,7-Diazapentacene Derivatives". . p. 1819 - 1823. Retrieved 2019/01/14.
• 2、 Zhang, Aimin,Han, Yaohua,Yamato, Kazuhiro,Zeng, Xiao Cheng,Gong, Bing. "Aromatic oligoureas: Enforced folding and assisted cyclization". . p. 803 - 806. Retrieved 2007/10/03.