Cas no 914100-41-7 (2,3-Difluoro-1-iodo-4-methylbenzene)

2,3-Difluoro-1-iodo-4-methylbenzene is a fluorinated and iodinated aromatic compound with a methyl substituent, offering versatile reactivity for synthetic applications. The presence of both fluorine and iodine atoms enhances its utility in cross-coupling reactions, such as Suzuki or Sonogashira couplings, where the iodine serves as a leaving group. The electron-withdrawing fluorine atoms influence the compound's electronic properties, making it valuable in pharmaceutical and agrochemical intermediates. Its methyl group further allows for functionalization, broadening its applicability in fine chemical synthesis. The compound's stability and well-defined structure make it a reliable building block for constructing complex aromatic systems in research and industrial settings.
2,3-Difluoro-1-iodo-4-methylbenzene structure
914100-41-7 structure
Product Name:2,3-Difluoro-1-iodo-4-methylbenzene
CAS No:914100-41-7
MF:C7H5F2I
MW:254.015881299973
CID:830190
PubChem ID:19910967
Update Time:2025-06-09

2,3-Difluoro-1-iodo-4-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 2,3-Difluoro-1-iodo-4-methylbenzene
    • 2,3-Difluoro-1-iodo-4-methylbenzene (ACI)
    • AKOS016004696
    • MFCD16619369
    • DTXSID00601233
    • DB-002405
    • QKRIGLBQQDSLLN-UHFFFAOYSA-N
    • SCHEMBL582974
    • E91201
    • CS-0190802
    • 914100-41-7
    • EN300-646171
    • MDL: MFCD16619369
    • Inchi: 1S/C7H5F2I/c1-4-2-3-5(10)7(9)6(4)8/h2-3H,1H3
    • InChI Key: QKRIGLBQQDSLLN-UHFFFAOYSA-N
    • SMILES: FC1C(I)=CC=C(C)C=1F

Computed Properties

  • Exact Mass: 253.94040g/mol
  • Monoisotopic Mass: 253.94040g/mol
  • 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: 3.1
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.865

2,3-Difluoro-1-iodo-4-methylbenzene Pricemore >>

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2,3-Difluoro-1-iodo-4-methylbenzene Production Method

Production Method 1

Reaction Conditions
Reference
General synthesis method of alkyl-alkoxy multi-fluorotolanes for negative high birefringence nematic mixtures
Dziaduszek, J.; Kula, P.; Dabrowski, R.; Drzewinski, W.; Garbat, K.; et al, Liquid Crystals, 2012, 39(2), 239-247

2,3-Difluoro-1-iodo-4-methylbenzene Preparation Products

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