Cas no 1215795-58-6 (1,5-Dichloro-3-iodo-2-methylbenzene)

1,5-Dichloro-3-iodo-2-methylbenzene is a halogenated aromatic compound with a molecular formula of C?H?Cl?I. Its structure features chlorine and iodine substituents at the 1,5- and 3-positions, respectively, along with a methyl group at the 2-position, making it a versatile intermediate in organic synthesis. The presence of multiple halogens enhances its reactivity in cross-coupling reactions, such as Suzuki or Ullmann couplings, while the methyl group can influence steric and electronic properties. This compound is particularly useful in pharmaceutical and agrochemical research for constructing complex molecules. Its stability and well-defined reactivity profile make it a valuable building block for selective functionalization in synthetic chemistry applications.
1,5-Dichloro-3-iodo-2-methylbenzene structure
1215795-58-6 structure
Product Name:1,5-Dichloro-3-iodo-2-methylbenzene
CAS No:1215795-58-6
MF:C7H5Cl2I
MW:286.925072431564
CID:3157943
PubChem ID:71021105
Update Time:2025-05-19

1,5-Dichloro-3-iodo-2-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1,5-Dichloro-3-iodo-2-methylbenzene
    • E90639
    • 1215795-58-6
    • SCHEMBL13890701
    • MFCD11865414
    • CS-0193494
    • Inchi: 1S/C7H5Cl2I/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3
    • InChI Key: DBZFEAIDJAWMTM-UHFFFAOYSA-N
    • SMILES: IC1C=C(C=C(C=1C)Cl)Cl

Computed Properties

  • Exact Mass: 285.88130Da
  • Monoisotopic Mass: 285.88130Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 118
  • 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: 4.2
  • Topological Polar Surface Area: 0?2

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Additional information on 1,5-Dichloro-3-iodo-2-methylbenzene

Comprehensive Overview of 1,5-Dichloro-3-iodo-2-methylbenzene (CAS No. 1215795-58-6): Properties, Applications, and Industry Insights

1,5-Dichloro-3-iodo-2-methylbenzene (CAS No. 1215795-58-6) is a halogenated aromatic compound with significant relevance in organic synthesis and material science. Its unique structure, featuring chloro and iodo substituents on a methylbenzene backbone, makes it a versatile intermediate for pharmaceuticals, agrochemicals, and advanced materials. Researchers and industries increasingly focus on this compound due to its potential in cross-coupling reactions, a topic trending in green chemistry and sustainable synthesis.

The compound’s molecular formula, C7H5Cl2I, highlights its halogen-rich nature, which is pivotal for designing high-performance polymers and electronic materials. Recent studies emphasize its role in Pd-catalyzed reactions, a hot topic in catalysis research. Users searching for "iodoarene applications" or "dichlorobenzene derivatives" often encounter this compound, reflecting its growing importance in specialty chemicals.

From a synthetic perspective, 1,5-Dichloro-3-iodo-2-methylbenzene offers excellent regioselectivity, a feature highly valued in medicinal chemistry. Its meta-substitution pattern enables precise functionalization, addressing the demand for tailor-made molecules in drug discovery. Queries like "halogenated benzene uses" or "methylbenzene synthesis" frequently link to discussions about this compound, underscoring its interdisciplinary appeal.

Environmental and safety considerations are also critical. While not classified as hazardous under standard guidelines, proper handling of halogenated compounds aligns with global trends like REACH compliance and laboratory safety protocols. This aligns with searches for "safe handling of iodoarenes", a concern for industrial and academic users alike.

In summary, 1,5-Dichloro-3-iodo-2-methylbenzene (CAS No. 1215795-58-6) bridges gaps between organic synthesis, material science, and sustainability. Its multifaceted applications and alignment with industry trends ensure its continued relevance in research and development.

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