Cas no 723294-75-5 (3-Fluoro-5-iodobenzonitrile)

3-Fluoro-5-iodobenzonitrile is a fluorinated and iodinated benzonitrile derivative, primarily utilized as a versatile intermediate in organic synthesis and pharmaceutical research. Its distinct structure, featuring both fluorine and iodine substituents on the aromatic ring, enables selective functionalization through cross-coupling reactions, such as Suzuki or Sonogashira couplings. The electron-withdrawing nitrile group enhances reactivity, making it valuable for constructing complex molecules. This compound is particularly useful in medicinal chemistry for developing bioactive compounds due to its ability to modulate electronic and steric properties. High purity and stability under standard conditions further ensure reliable performance in synthetic applications.
3-Fluoro-5-iodobenzonitrile structure
3-Fluoro-5-iodobenzonitrile structure
Product Name:3-Fluoro-5-iodobenzonitrile
CAS No:723294-75-5
MF:C7H3FIN
MW:247.008297204971
MDL:MFCD04116468
CID:562955
PubChem ID:2758988
Update Time:2025-06-08

3-Fluoro-5-iodobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Fluoro-5-iodobenzonitrile
    • Benzonitrile,3-fluoro-5-iodo-
    • 3-Fluoro-5-iodo-benzonitrile
    • PubChem8132
    • 3-Fluoro-5-iodobenzonitrile.
    • 3-fluoro-5-iodobenzenecarbonitrile
    • 5-FLUORO-3-IODOBENZONITRILE
    • SBB064704
    • RP28760
    • FCH1323728
    • VZ35085
    • CM13078
    • AS02672
    • BC227649
    • AX8022388
    • AB0
    • A21176
    • MFCD04116468
    • 4-IODOANILINEHYDROCHLORIDE
    • PB43356
    • SY041693
    • AM20050116
    • SCHEMBL1652055
    • AKOS015853525
    • EN300-646074
    • AC-2605
    • GS-4378
    • FT-0600116
    • DTXSID90374585
    • J-512523
    • 723294-75-5
    • CS-W006733
    • DB-006446
    • MDL: MFCD04116468
    • Inchi: 1S/C7H3FIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
    • InChI Key: FCJNITIJYWQFCM-UHFFFAOYSA-N
    • SMILES: IC1=CC(=CC(C#N)=C1)F

Computed Properties

  • Exact Mass: 246.92900
  • Monoisotopic Mass: 246.929
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 162
  • 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: 23.8
  • XLogP3: 2.4

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.98
  • Melting Point: 29-30℃
  • Boiling Point: 251℃ at 760 mmHg
  • Flash Point: 105℃
  • Refractive Index: 1.63
  • PSA: 23.79000
  • LogP: 2.30198
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

3-Fluoro-5-iodobenzonitrile Security Information

3-Fluoro-5-iodobenzonitrile Pricemore >>

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3-Fluoro-5-iodobenzonitrile Production Method

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