Cas no 102589-07-1 (1,3-diiodonaphthalene)

1,3-Diiodonaphthalene is a halogenated aromatic compound characterized by the presence of two iodine atoms at the 1 and 3 positions of the naphthalene ring. This structure imparts high reactivity, making it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki and Sonogashira couplings. Its iodine substituents enhance electrophilic substitution potential, facilitating further functionalization. The compound exhibits good thermal stability and is often utilized in the preparation of advanced materials, including liquid crystals and organic semiconductors. Due to its defined molecular geometry and halogenated properties, 1,3-diiodonaphthalene is also employed in research involving supramolecular chemistry and optoelectronic applications.
1,3-diiodonaphthalene structure
1,3-diiodonaphthalene structure
Product Name:1,3-diiodonaphthalene
CAS No:102589-07-1
MF:C10H6I2
MW:379.963587284088
CID:1133097
PubChem ID:53485678
Update Time:2025-06-07

1,3-diiodonaphthalene Chemical and Physical Properties

Names and Identifiers

    • 1,3-diiodonaphthalene
    • DTXSID50704763
    • SCHEMBL18459198
    • DB-083911
    • 102589-07-1
    • Inchi: 1S/C10H6I2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H
    • InChI Key: NMNWQMBXWXLEIM-UHFFFAOYSA-N
    • SMILES: IC1C=C(C=C2C=CC=CC2=1)I

Computed Properties

  • Exact Mass: 379.85589g/mol
  • Monoisotopic Mass: 379.85589g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 158
  • 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
  • Molecular Weight: 379.96g/mol
  • XLogP3: 5
  • Topological Polar Surface Area: 0?2

1,3-diiodonaphthalene Pricemore >>

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