Cas no 403-18-9 (4-Fluoro-3-iodobenzoic acid)

4-Fluoro-3-iodobenzoic acid is a halogenated benzoic acid derivative featuring both fluorine and iodine substituents on its aromatic ring. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications, where its unique substitution pattern enables selective functionalization. The presence of fluorine enhances metabolic stability, while the iodine moiety facilitates further cross-coupling reactions, such as Suzuki or Sonogashira couplings. Its high purity and well-defined structure make it suitable for precision chemical transformations. The compound is typically supplied as a crystalline solid, ensuring consistent handling and storage stability. Researchers value it for its role in constructing complex molecules with tailored electronic and steric properties.
4-Fluoro-3-iodobenzoic acid structure
4-Fluoro-3-iodobenzoic acid structure
Product Name:4-Fluoro-3-iodobenzoic acid
CAS No:403-18-9
MF:C7H4FIO2
MW:266.008337974548
MDL:MFCD03788556
CID:925633
PubChem ID:10361
Update Time:2025-06-09

4-Fluoro-3-iodobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Fluoro-3-iodobenzoic acid
    • 4-FLUORO-3-IODOBENZOIC ACID
    • Benzoic acid, 4-fluoro-3-iodo-
    • 3-iodo-4-fluorobenzoic acid
    • 4-Fluor-3-jod-benzoesaeure
    • 4-fluoro-3-iodo-benzoic acid
    • BUTTPARK 122
    • J-515371
    • SCHEMBL7756184
    • AM20050091
    • DTXSID00274507
    • CS-W014591
    • IKSOHJRYPQRTLQ-UHFFFAOYSA-N
    • DB-010523
    • AKOS015919932
    • EN300-107765
    • 4-fluoro-3-iodobenzoic acid, AldrichCPR
    • SY101473
    • 4-fluoro-3-iodobenzoicacid
    • MFCD03788556
    • BCP26635
    • 403-18-9
    • PS-7330
    • Z1269207858
    • A20338
    • MDL: MFCD03788556
    • Inchi: 1S/C7H4FIO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
    • InChI Key: IKSOHJRYPQRTLQ-UHFFFAOYSA-N
    • SMILES: IC1=C(C=CC(C(=O)O)=C1)F

Computed Properties

  • Exact Mass: 265.92400
  • Monoisotopic Mass: 265.924
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 2.074
  • Melting Point: 174-176 oC
  • Boiling Point: 339 oC
  • Flash Point: 159 oC
  • Refractive Index: 1.637
  • PSA: 37.30000
  • LogP: 2.12850
  • Sensitiveness: Light Sensitive

4-Fluoro-3-iodobenzoic acid Security Information

4-Fluoro-3-iodobenzoic acid Pricemore >>

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4-Fluoro-3-iodobenzoic acid Production Method

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