Cas no 755758-89-5 (1-Chloro-2-iodo-4,5-dimethyl-benzene)

1-Chloro-2-iodo-4,5-dimethyl-benzene is a halogenated aromatic compound featuring both chlorine and iodine substituents on a dimethyl-substituted benzene ring. This structure makes it a valuable intermediate in organic synthesis, particularly for cross-coupling reactions such as Suzuki or Ullmann couplings, where the iodine moiety offers high reactivity. The presence of methyl groups enhances steric and electronic effects, influencing regioselectivity in further functionalization. Its stability under standard conditions ensures ease of handling and storage. This compound is commonly utilized in pharmaceutical and agrochemical research for constructing complex aromatic frameworks. Its well-defined reactivity profile makes it a preferred choice for precision synthesis applications.
1-Chloro-2-iodo-4,5-dimethyl-benzene structure
755758-89-5 structure
Product Name:1-Chloro-2-iodo-4,5-dimethyl-benzene
CAS No:755758-89-5
MF:C8H8ClI
MW:266.506593704224
MDL:MFCD12922556
CID:3166642
PubChem ID:50998352
Update Time:2025-05-27

1-Chloro-2-iodo-4,5-dimethyl-benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Chloro-2-iodo-4,5-dimethyl-benzene
    • Benzene, 1-chloro-2-iodo-4,5-dimethyl-
    • AKOS017560066
    • CS-0322487
    • 4-Iodo-5-chloro-o-xylene;
    • 4-Chloro-5-iodo-o-xylene
    • DS-18688
    • 4-Iodo-5-chloro-o-xylene
    • SCHEMBL21856930
    • MFCD12922556
    • 1-Chloro-2-iodo-4,5-dimethylbenzene
    • 755758-89-5
    • O10394
    • MDL： MFCD12922556
    • Inchi： 1S/C8H8ClI/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,1-2H3
    • InChI Key： CWNHCFSPRUCSKI-UHFFFAOYSA-N
    • SMILES： IC1C(=CC(C)=C(C)C=1)Cl

Computed Properties

  • Exact Mass: 265.93593g/mol
  • Monoisotopic Mass: 265.93593g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 116
  • 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: 3.9
  • Topological Polar Surface Area: 0?2

1-Chloro-2-iodo-4,5-dimethyl-benzene Pricemore >>

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