632-92-8

Basic information

• Product Name: 2,4,6-Trinitroxylene
• Synonyms: 2,4,6-Trinitroxylene;2,4,6-trinitro-m-xylene;1,3-Dimethyl-2,4,6-trinitrobenzene;2,4,6-Trinitroxylene, TNX
• CAS NO: 632-92-8
• Molecular Formula: C₈H₇N₃O₆
• Molecular Weight: 241.15768
• EINECS: 211-187-5
• Mol File: 632-92-8.mol
• Article Data: 7

Chemical Properties

• Melting Point: 184°C
• Boiling Point: 383.92°C (rough estimate)
• Flash Point: 170.2 °C
• Appearance: /
• Density: 1.6040
• Vapor Pressure: 7.61E-05mmHg at 25°C
• Refractive Index: 1.7400 (estimate)
• CAS DataBase Reference: 2,4,6-Trinitroxylene(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-Trinitroxylene(632-92-8)
• EPA Substance Registry System: 2,4,6-Trinitroxylene(632-92-8)

Safety Data

• Hazard Codes: E,Xn
• Statements: 2-20/21/22-33
• Safety Statements: 35
• Hazardous Substances Data: 632-92-8(Hazardous Substances Data)

Usage

Description

2,4,6-Trinitroxylene, also known as Trinitrotoluene (TNT), is a chemical compound belonging to the group of C-nitro compounds. It is an organic molecule derived from m-xylene, with three nitro substituents attached at positions 2, 4, and 6. 2,4,6-Trinitroxylene is characterized by its explosive properties and has been widely used in various applications due to its unique characteristics.

Uses

Used in Military Applications:
2,4,6-Trinitroxylene is used as an explosive material for its high energy density and stability. It has been a primary component in the manufacturing of military ammunition and explosives due to its ability to release a large amount of energy upon detonation, making it effective for both offensive and defensive purposes.
Used in Industrial Applications:
In the industrial sector, 2,4,6-Trinitroxylene is utilized as a blasting agent in mining and construction projects. Its controlled detonation capabilities allow for efficient breaking and excavation of hard materials, such as rocks and boulders, without causing excessive damage to the surrounding environment.
Used in Research and Development:
2,4,6-Trinitroxylene serves as a valuable compound in the field of research and development, particularly in the study of explosives and their properties. Its unique chemical structure and reactivity make it an important subject for understanding the behavior of nitro compounds and their potential applications in various fields.
Used in Environmental Remediation:
Due to the widespread use of 2,4,6-Trinitroxylene in military and industrial applications, there is a need for effective environmental remediation strategies to address contamination issues. Research is being conducted to develop methods for the safe disposal and degradation of TNT, as well as to mitigate its impact on ecosystems and human health.

Purification Methods

Crystallise the xylene from ethyl methyl ketone. [Beilstein 5 H 381, 5 I 185, 5 II 295, 5 III 845, 5 IV 950.]

InChI:InChI=1/C8H7N3O6/c1-4-6(9(12)13)3-7(10(14)15)5(2)8(4)11(16)17/h3H,1-2H3

Upstream product

• 823-17-6 3,5-dimethylcyclohexene 
• 4102-38-9 1-iodo-2,4-dimethyl-5-nitro-benzene 
• 99-65-0 meta-dinitrobenzene 
• 546-67-8 lead(IV) tetraacetate 
• 64-19-7 acetic acid 
• 99-35-4 1,3,5-trinitrobenzene 
• 108-38-3 m-xylene 
• 7664-93-9 sulfuric acid 
• 7697-37-2 nitric acid 
• 118-96-7 2,4,6-Trinitrotoluene 
• 127-09-3 sodium acetate 
• 5441-52-1 3,5-dimethylcyclohexan-1-ol 
• 1123-09-7 3,5-dimethyl-2-cyclohexen-1-one 
• 89-87-2 2,4-dimethylnitrobenzene 

Downstream Products

• 28153-32-4 (E)-3-Dimethylamino-2-[3-((Z)-2-dimethylamino-1-formyl-vinyl)-2,4,6-trinitro-phenyl]-propenal 
• 859961-10-7 2,4,6-trinitro-1,3-bis(styryl)benzene 

Relevant articles and documents

Conjugated energetic salts based on 3,3′-((1E,1′E)-(2,4,6-trinitro-1,3-phenylene)bis(ethene-2,1-diyl))bis(2,4,6-trinitrophenol)

Based on a design strategy that has resulted in conjugated energetic materials, 3,3′-((1E,1′E)-(2,4,6-trinitro-1,3-phenylene)bis(ethane-2,1-diyl))bis(2,4,6-trinitrophenol) and its nitrogen-rich salts were obtained and characterized via spectral and elemental analyses. These new molecules exhibit good thermal stability (Td = 268.4-311.3 °C), especially for hydrazinium salt 4c, which is comparable to that of the benchmark HNS. Also, they exhibit low impact sensitivity (>40 J), high density (1.67-1.88 g cm-3), acceptable detonation properties (7268-8527 m s-1, 26.7-34.1 GPa) and brisance parameters (103.9-144.4). The energetic properties of the salts suggest potential applications to new energetic materials.

Formation constants in C-H hydrogen bonding. 4. Effects of cyano, nitro, and trifluoromethyl substituents in aromatic compounds

Formation constants ( Keq) have been measured using 1H NMR for H-bond complexes with HMPA in CCl 4of 35 aromatic compounds variously substituted with cyano, nitro, and trifluoromethyl groups; several compounds contained F and Cl. The three strongly polar groups enhance H-bonding significantly, usually in the order NO2 > CN > CF3; all are superior to Cl and F. 1,3,5-Trinitrobenzene fails to H-bond at all; however, TNT, its tert-butyl analog, and trinitro-m-xylene show significant Keq values. Coplanarity of nitro groups with the ring blocks approach of HMPA, probably via intramolecular H-bonds. The buttressing effect is evident in some crowded compounds.

Synthesis and biological activity of flavanone derivatives

A series of new flavanone derivatives of farrerol was synthesized by a convenient method. The in vitro anti-tumor activity of these compounds was evaluated against human Bel-7402, HL-60, BGC-823 and KB cell lines, the protein tyrosine kinase (PTK) inhibitor activity was also tested. Their cytoprotective activity was tested using hydrogen peroxide (H2O2)-induced injury in human umbilical vein endothelial cells. Their in vitro anti-atherosclerosis activity was tested on vascular smooth muscle cells by the MTT method using tetrandrine as a positive contrast drug. The structures of all compounds synthesized were confirmed by 1H, 13C NMR and ESI-MS. Most of the compounds exhibited good pharmacological activity and the preliminary structure-activity relationships were described.