Cas no 18812-40-3 (2-Iodothiophene-3-carbaldehyde)

2-Iodothiophene-3-carbaldehyde is a versatile heterocyclic building block used in organic synthesis, particularly in the construction of thiophene-based derivatives. Its key advantages include the presence of both an aldehyde group and an iodine substituent, which facilitate further functionalization via cross-coupling reactions, nucleophilic substitutions, or condensation reactions. The iodine atom enhances reactivity in palladium-catalyzed transformations, such as Suzuki or Sonogashira couplings, while the aldehyde group serves as a handle for condensation or reduction reactions. This compound is valuable in pharmaceutical and materials science research, enabling the synthesis of complex molecules with tailored properties. Its stability and well-defined reactivity make it a reliable intermediate for advanced synthetic applications.
2-Iodothiophene-3-carbaldehyde structure
18812-40-3 structure
Product Name:2-Iodothiophene-3-carbaldehyde
CAS No:18812-40-3
MF:C5H3IOS
MW:238.046192407608
MDL:MFCD03426915
CID:1090697
PubChem ID:819056
Update Time:2025-06-07

2-Iodothiophene-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Iodothiophene-3-carbaldehyde
    • 2-Iodo-3-thiophenecarbaldehyde
    • 3-Thiophenecarboxaldehyde, 2-iodo-
    • SBB098882
    • FCH1335248
    • AK143585
    • AX8282833
    • DS-7695
    • 18812-40-3
    • A908341
    • SCHEMBL15888128
    • AKOS022176404
    • C73596
    • AI-942/25121041
    • DTXSID40356038
    • MDL: MFCD03426915
    • Inchi: 1S/C5H3IOS/c6-5-4(3-7)1-2-8-5/h1-3H
    • InChI Key: XQBBCHBIMBAUEN-UHFFFAOYSA-N
    • SMILES: IC1=C(C=O)C=CS1

Computed Properties

  • Exact Mass: 237.89449
  • Monoisotopic Mass: 237.89493g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 96.4
  • 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: 1.8
  • Topological Polar Surface Area: 45.3

Experimental Properties

  • Boiling Point: 278.9±25.0°C at 760 mmHg
  • PSA: 17.07

2-Iodothiophene-3-carbaldehyde Security Information

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