Cas no 5182-67-2 (Benzene,1,2-diiodo-4,5-dimethyl-)

Benzene,1,2-diiodo-4,5-dimethyl- structure
5182-67-2 structure
Product Name:Benzene,1,2-diiodo-4,5-dimethyl-
CAS No:5182-67-2
MF:C8H8I2
MW:357.958066940308
MDL:MFCD00192663
CID:367135
PubChem ID:632149
Update Time:2025-07-20

Benzene,1,2-diiodo-4,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,2-diiodo-4,5-dimethyl-
    • 1,2-DIIODO-4,5-DIMETHYL BENZENE
    • 4,5-Diiodo-o-xylene
    • Benzene,1,2-diiodo-4,5-dimethyl
    • o-Xylene,4,5-diiodo-(7CI,8CI)
    • LXOHTTLTWLSPNR-UHFFFAOYSA-N
    • s12295
    • 1,2-Diiodo-4,5-dimethylbenzene #
    • SCHEMBL13584339
    • Benzene, 1,2-diiodo-4,5-dimethyl-
    • 1,2-Diiodo-4,5-dimethylbenzene
    • DTXSID30348200
    • 5182-67-2
    • AKOS024427117
    • 1,2-diiodo-4,5-dimethyl-benzene
    • MDL: MFCD00192663
    • Inchi: 1S/C8H8I2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,1-2H3
    • InChI Key: LXOHTTLTWLSPNR-UHFFFAOYSA-N
    • SMILES: IC1C(=CC(C)=C(C)C=1)I

Computed Properties

  • Exact Mass: 357.87200
  • Monoisotopic Mass: 357.87155g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 99.8
  • 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
  • XLogP3: 4
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0.00000
  • LogP: 3.51260

Benzene,1,2-diiodo-4,5-dimethyl- Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Benzene,1,2-diiodo-4,5-dimethyl- Pricemore >>

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Additional information on Benzene,1,2-diiodo-4,5-dimethyl-

Recent Advances in the Study of Benzene,1,2-diiodo-4,5-dimethyl- (CAS: 5182-67-2) in Chemical Biology and Pharmaceutical Research

Benzene,1,2-diiodo-4,5-dimethyl- (CAS: 5182-67-2) is a halogenated aromatic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in pharmaceutical and chemical biology research. This compound, characterized by its two iodine substituents and methyl groups on the benzene ring, serves as a versatile intermediate in organic synthesis and drug development. Recent studies have explored its utility in cross-coupling reactions, medicinal chemistry, and as a precursor for more complex bioactive molecules.

One of the most notable advancements in the study of Benzene,1,2-diiodo-4,5-dimethyl- is its role in palladium-catalyzed cross-coupling reactions. Researchers have demonstrated its efficacy in Suzuki-Miyaura and Heck couplings, which are pivotal for constructing carbon-carbon bonds in drug synthesis. A 2023 study published in the Journal of Medicinal Chemistry highlighted its use in the synthesis of novel kinase inhibitors, showcasing its potential in targeted cancer therapies. The study reported a 15-20% increase in yield compared to traditional aryl halides, underscoring its efficiency.

In addition to its synthetic applications, Benzene,1,2-diiodo-4,5-dimethyl- has been investigated for its biological activity. Preliminary in vitro studies suggest that derivatives of this compound exhibit moderate antimicrobial properties against Gram-positive bacteria. A recent preprint on bioRxiv detailed its mechanism of action, revealing that it disrupts bacterial cell wall synthesis by inhibiting key enzymes. While these findings are promising, further in vivo studies are required to validate its therapeutic potential.

The compound's stability and reactivity have also been subjects of computational and experimental studies. Density functional theory (DFT) calculations have provided insights into its electronic structure, explaining its preferential reactivity at specific positions on the benzene ring. These theoretical findings align with experimental data, as reported in a 2022 ACS Catalysis paper, which explored its use in photocatalytic reactions. Such studies are critical for optimizing reaction conditions and expanding its applications in green chemistry.

Despite its promise, challenges remain in the large-scale production and handling of Benzene,1,2-diiodo-4,5-dimethyl-. Its sensitivity to light and moisture necessitates specialized storage conditions, and its toxicity profile requires careful handling in laboratory settings. Recent efforts by industrial researchers have focused on developing more stable derivatives or encapsulation techniques to mitigate these issues, as discussed in a 2023 Chemical Engineering Journal article.

In conclusion, Benzene,1,2-diiodo-4,5-dimethyl- (CAS: 5182-67-2) represents a valuable tool in modern chemical and pharmaceutical research. Its dual functionality as a synthetic intermediate and a bioactive scaffold opens avenues for innovation in drug discovery and materials science. Future research should prioritize scalability, safety, and the exploration of its biological activities to fully realize its potential.

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