Cas no 1006-31-1 (2,3,5,6-Tetrachlorotoluene)

2,3,5,6-Tetrachlorotoluene is a chlorinated aromatic compound with the molecular formula C?H?Cl?. It is characterized by its high purity and stability, making it a valuable intermediate in organic synthesis, particularly in the production of agrochemicals and specialty chemicals. The compound’s four chlorine substituents enhance its reactivity in substitution and coupling reactions, enabling precise functionalization for downstream applications. Its crystalline solid form ensures ease of handling and storage under standard conditions. 2,3,5,6-Tetrachlorotoluene is also noted for its consistent performance in industrial processes, where it serves as a reliable precursor for advanced chemical manufacturing. Proper safety measures should be observed due to its halogenated nature.
2,3,5,6-Tetrachlorotoluene structure
2,3,5,6-Tetrachlorotoluene structure
Product Name:2,3,5,6-Tetrachlorotoluene
CAS No:1006-31-1
MF:C7H4Cl4
MW:229.918658256531
CID:234659
PubChem ID:13870
Update Time:2025-06-15

2,3,5,6-Tetrachlorotoluene Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,2,4,5-tetrachloro-3-methyl-
    • 1,2,4,5-tetrachloro-3-Methylbenzene
    • 2,3,5,6-Tetrachlorotoluene
    • Toluene,2,3,5,6-tetrachloro- (6CI,7CI,8CI)
    • 1006-31-1
    • AKOS028114815
    • DTXSID90870830
    • SCHEMBL1547849
    • TETRACHLOROMETHYLBENZENE
    • 29733-70-8
    • Benzene, 1,2,4,5-tetrachloro-3-methyl-
    • Inchi: 1S/C7H4Cl4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
    • InChI Key: ZOXPZFFPPKVNEA-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC(=C(C=1C)Cl)Cl)Cl

Computed Properties

  • Exact Mass: 229.903761
  • Monoisotopic Mass: 227.906711
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 124
  • 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
  • Topological Polar Surface Area: 0
  • XLogP3: 4.8

Experimental Properties

  • Density: 1.5044 (estimate)
  • Melting Point: 93.5°C
  • Boiling Point: 253.97°C (estimate)
  • Flash Point: 122.7°C
  • Refractive Index: 1.5149 (estimate)

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2,3,5,6-Tetrachlorotoluene Suppliers

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(CAS:1006-31-1)2,3,5,6-Tetrachlorotoluene
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Quantity:25KG,200KG,1000KG
Purity:99%
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Additional information on 2,3,5,6-Tetrachlorotoluene

Chemical Profile of 2,3,5,6-Tetrachlorotoluene (CAS No. 1006-31-1)

2,3,5,6-Tetrachlorotoluene (CAS No. 1006-31-1) is a halogenated aromatic hydrocarbon that has garnered significant attention in the field of organic synthesis and material science due to its unique structural and chemical properties. This compound, characterized by a benzene ring substituted with four chlorine atoms at the 2, 3, 5, and 6 positions, exhibits distinct reactivity patterns that make it a valuable intermediate in the synthesis of various fine chemicals and specialty materials. The presence of multiple chlorine atoms not only enhances its utility in cross-coupling reactions but also influences its electronic and steric properties, making it a subject of extensive research in modern chemical applications.

The chemical structure of 2,3,5,6-Tetrachlorotoluene imparts a high degree of electrophilicity to the aromatic ring, facilitating its participation in nucleophilic aromatic substitution reactions. This feature has been exploited in pharmaceutical synthesis to develop intermediates for active pharmaceutical ingredients (APIs). Recent studies have demonstrated its role in constructing complex molecular architectures through palladium-catalyzed coupling reactions, which are pivotal in the development of novel therapeutic agents. The compound's stability under various reaction conditions further underscores its potential as a building block in synthetic chemistry.

In the realm of material science, 2,3,5,6-Tetrachlorotoluene has been investigated for its applications in the production of liquid crystals and conductive polymers. The chlorine substituents introduce polarity into the molecule, which can be leveraged to enhance intermolecular interactions and improve material performance. Researchers have reported its incorporation into polymer matrices to modulate electrical conductivity and thermal stability. These findings highlight the compound's versatility beyond traditional organic synthesis applications.

From an industrial perspective, the synthesis of 2,3,5,6-Tetrachlorotoluene involves chlorination processes that require careful optimization to ensure high yield and purity. Advances in catalytic systems have enabled more efficient production methods, reducing environmental impact while maintaining cost-effectiveness. The compound's commercial significance is further amplified by its use as a precursor in the manufacture of dyes and agrochemicals. Its role in these industries underscores the importance of continuous research into optimizing its production and application.

The toxicological profile of 2,3,5,6-Tetrachlorotoluene has been extensively studied to ensure safe handling and application. While it exhibits moderate toxicity upon acute exposure, chronic studies suggest that prolonged exposure requires careful monitoring due to potential metabolic effects. Regulatory agencies have established guidelines for its use in industrial settings to minimize health risks. These measures reflect the commitment to safety that accompanies advancements in chemical manufacturing.

Recent academic research has explored novel derivatives of 2,3,5,6-Tetrachlorotoluene, focusing on enhancing their functional properties for specific applications. For instance, modifications at the chlorine positions have led to compounds with improved solubility and reactivity profiles. These derivatives are being tested for their efficacy in drug delivery systems and as catalysts for organic transformations. Such innovations demonstrate the dynamic nature of research involving this compound.

The future prospects for 2,3,5,6-Tetrachlorotoluene appear promising as advancements in synthetic methodologies continue to emerge. Its role as an intermediate in high-value chemical syntheses ensures sustained interest from both academic and industrial researchers. Collaborative efforts between chemists and engineers are likely to yield new applications that further expand its utility across multiple sectors.

In conclusion,2,3,5,6-Tetrachlorotoluene (CAS No. 1006-31-1) remains a cornerstone compound in organic chemistry due to its unique structural features and broad applicability. Ongoing research continues to uncover new possibilities for its use in pharmaceuticals、materials science,and industrial processes,ensuring its relevance for years to come.

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:1006-31-1)2,3,5,6-Tetrachlorotoluene
LE11300
Purity:99%
Quantity:25KG,200KG,1000KG
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