Cas no 610-25-3 (Benzene,1-methyl-2,4,5-trinitro-)

Benzene,1-methyl-2,4,5-trinitro- (CAS 602-99-3) is a nitrated aromatic compound characterized by its high energy density and stability under controlled conditions. Its molecular structure, featuring a methyl group and three nitro substituents, contributes to its utility in specialized applications such as energetic materials and chemical synthesis. The compound exhibits predictable thermal decomposition properties, making it suitable for research in explosives and propellants. Its well-defined reactivity profile allows for precise modifications in synthetic pathways. Handling requires strict adherence to safety protocols due to its sensitivity to shock and friction. Analytical methods, including HPLC and spectroscopy, ensure purity and consistency in laboratory use.
Benzene,1-methyl-2,4,5-trinitro- structure
610-25-3 structure
Product Name:Benzene,1-methyl-2,4,5-trinitro-
CAS No:610-25-3
MF:C7H5N3O6
MW:227.131101369858
MDL:MFCD00234266
CID:510250
Update Time:2026-04-29

Benzene,1-methyl-2,4,5-trinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-methyl-2,4,5-trinitro-
    • 1-methyl-2,4,5-trinitrobenzene
    • 2,4,5-TRINITROTOLUENE
    • 1-methyl-2,4,5-trinitro-benzene
    • 2,3-DIHYDRO-5-BENZOFURANACETIC ACID-D2
    • 2,4,5-Trinitro-toluol
    • Benzene,1-methyl-2,4,5-trinitro
    • EINECS 210-214-8
    • Toluene,2,4,5-trinitro
    • MDL: MFCD00234266

Computed Properties

  • Exact Mass: 227.01800
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 316
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.7033 (rough estimate)
  • Melting Point: 104°C
  • Boiling Point: 368.83°C (rough estimate)
  • Refractive Index: 1.5500 (estimate)
  • PSA: 137.46000
  • LogP: 3.28920

Benzene,1-methyl-2,4,5-trinitro- Customs Data

  • HS CODE:2904204000
  • Customs Data:

    China Customs Code:

    2904204000

    Overview:

    2904204000 Trinitrotoluene(TNT).Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.Minimum tariff:5.5%.general tariff:40.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2904204000 1-methyl-2,4,5-trinitrobenzene.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%

Benzene,1-methyl-2,4,5-trinitro- Pricemore >>

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Additional information on Benzene,1-methyl-2,4,5-trinitro-

1-Methyl-2,4,5-Trinitrobenzene (CAS No. 610-25-3): An Overview of a Unique Organic Compound

1-Methyl-2,4,5-trinitrobenzene (CAS No. 610-25-3) is a notable organic compound that has garnered significant attention in the fields of chemistry and materials science. This compound, also known as methyl trinitrobenzene or MTNB, is characterized by its unique molecular structure and properties, which make it a valuable subject of research and application in various scientific and industrial contexts.

The chemical formula of 1-methyl-2,4,5-trinitrobenzene is C8H6N6O6. It is a derivative of benzene with a methyl group at the 1-position and three nitro groups at the 2, 4, and 5 positions. The presence of these functional groups imparts specific chemical and physical properties to the molecule, making it an interesting compound for both fundamental and applied research.

In terms of physical properties, 1-methyl-2,4,5-trinitrobenzene is a crystalline solid at room temperature. It has a high melting point and is relatively stable under normal conditions. However, like many nitro compounds, it can be sensitive to heat and mechanical shock. This sensitivity necessitates careful handling and storage to ensure safety in laboratory and industrial settings.

The chemical reactivity of 1-methyl-2,4,5-trinitrobenzene is influenced by its nitro groups. These groups are strong electron-withdrawing substituents that can affect the reactivity of the benzene ring. For instance, they can make the ring more susceptible to nucleophilic substitution reactions. Additionally, the presence of multiple nitro groups can lead to explosive behavior under certain conditions, although this aspect is not typically explored in academic or industrial applications due to safety concerns.

In recent years, there has been growing interest in the use of 1-methyl-2,4,5-trinitrobenzene as a precursor for the synthesis of more complex organic molecules. Researchers have explored its potential in the development of new materials with unique properties. For example, studies have shown that derivatives of methyl trinitrobenzene can be used to create polymers with enhanced mechanical strength and thermal stability.

The environmental impact of 1-methyl-2,4,5-trinitrobenzene has also been a topic of research. While it is not classified as a hazardous substance under current regulations, its potential effects on ecosystems are still being studied. Scientists are investigating the biodegradability and toxicity of this compound to ensure that its use does not pose significant environmental risks.

In the pharmaceutical industry, methyl trinitrobenzene has been explored for its potential therapeutic applications. Some studies have suggested that certain derivatives of this compound may have anti-inflammatory or antimicrobial properties. However, further research is needed to fully understand its biological activity and potential side effects.

The synthesis of 1-methyl-2,4,5-trinitrobenzene typically involves multi-step processes that require precise control over reaction conditions. Common methods include nitration reactions using concentrated nitric acid and sulfuric acid mixtures. The choice of reagents and reaction conditions can significantly influence the yield and purity of the final product.

In conclusion, 1-methyl-2,4,5-trinitrobenzene (CAS No. 610-25-3) is a versatile organic compound with a wide range of applications in chemistry and materials science. Its unique molecular structure and properties make it an important subject of ongoing research. As new findings continue to emerge, the potential uses and implications of this compound are likely to expand further.

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