Cas no 64634-61-3 (Benzene,1,2,3-trichloro-5-iodo-)

Benzene,1,2,3-trichloro-5-iodo- is a halogenated aromatic compound featuring a benzene ring substituted with three chlorine atoms and one iodine atom. Its unique structure makes it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions and electrophilic substitutions. The presence of both chlorine and iodine substituents enhances its reactivity, allowing for selective functionalization in complex molecular frameworks. This compound is commonly utilized in pharmaceutical and agrochemical research, where precise halogenation patterns are critical. Its stability under standard conditions ensures ease of handling and storage, while its well-defined reactivity profile facilitates controlled transformations in synthetic applications.
Benzene,1,2,3-trichloro-5-iodo- structure
64634-61-3 structure
Product Name:Benzene,1,2,3-trichloro-5-iodo-
CAS No:64634-61-3
MF:C6H2Cl3I
MW:307.343551158905
CID:529241
PubChem ID:284019
Update Time:2025-05-27

Benzene,1,2,3-trichloro-5-iodo- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,2,3-trichloro-5-iodo-
    • 1,2,3-trichloro-5-iodobenzene
    • 1-Iodo-3,4,5-trichlorobenzol
    • 3,4,5-Trichloriodbenzol
    • 3,4,5-trichloro-1-iodobenzene
    • 3,4,5-trichloroiodobenzene
    • Benzene,1,2,3-trichloro-5-iodo
    • Inchi: 1S/C6H2Cl3I/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
    • InChI Key: RVAULXUQOQCUSC-UHFFFAOYSA-N
    • SMILES: IC1C=C(C(=C(C=1)Cl)Cl)Cl

Computed Properties

  • Exact Mass: 305.82700
  • Monoisotopic Mass: 305.82668g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 108
  • 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: 4.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0.00000
  • LogP: 4.25140

Benzene,1,2,3-trichloro-5-iodo- Pricemore >>

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