Cas no 1094759-93-9 (4-Chloro-5-fluoro-2-iodoaniline)

4-Chloro-5-fluoro-2-iodoaniline is a halogenated aniline derivative with a unique substitution pattern, making it a valuable intermediate in organic synthesis and pharmaceutical research. The presence of chloro, fluoro, and iodo substituents on the aromatic ring enhances its reactivity, enabling selective functionalization in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. Its well-defined structure and high purity make it suitable for applications in medicinal chemistry, particularly in the development of bioactive molecules and heterocyclic compounds. The compound’s stability under standard conditions ensures reliable handling and storage, while its distinct substitution pattern offers versatility in designing complex molecular architectures.
4-Chloro-5-fluoro-2-iodoaniline structure
1094759-93-9 structure
Product Name:4-Chloro-5-fluoro-2-iodoaniline
CAS No:1094759-93-9
MF:C6H4ClFIN
MW:271.4585
MDL:MFCD26407029
CID:3040909
PubChem ID:57538963
Update Time:2025-06-08

4-Chloro-5-fluoro-2-iodoaniline Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-5-fluoro-2-iodoaniline
    • 4-Chloro-5-fluoro-2-iodo-phenylamine
    • VQKNRDMUFGHRFG-UHFFFAOYSA-N
    • AK333124
    • Z2692093645
    • SCHEMBL9908757
    • MFCD26407029
    • 1094759-93-9
    • DS-12182
    • EN300-301312
    • CS-0157836
    • DA-47905
    • AKOS027332387
    • MDL: MFCD26407029
    • Inchi: 1S/C6H4ClFIN/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
    • InChI Key: VQKNRDMUFGHRFG-UHFFFAOYSA-N
    • SMILES: IC1=C([H])C(=C(C([H])=C1N([H])[H])F)Cl

Computed Properties

  • Exact Mass: 270.90610g/mol
  • Monoisotopic Mass: 270.90610g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 124
  • 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: 26
  • XLogP3: 2.6

Experimental Properties

  • Boiling Point: 293.8±40.0°C at 760 mmHg

4-Chloro-5-fluoro-2-iodoaniline Security Information

4-Chloro-5-fluoro-2-iodoaniline Pricemore >>

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