Cas no 618-93-9 (ethyl 4-fluoro-3-iodobenzoate)

Ethyl 4-fluoro-3-iodobenzoate (CAS: [insert CAS if known]) is a fluorinated and iodinated benzoate ester widely used as a versatile intermediate in organic synthesis and pharmaceutical research. The presence of both fluorine and iodine substituents on the aromatic ring enhances its reactivity in cross-coupling reactions, such as Suzuki or Sonogashira couplings, facilitating the construction of complex molecular frameworks. The ethyl ester group improves solubility in organic solvents, making it suitable for diverse reaction conditions. This compound is particularly valuable in medicinal chemistry for the development of fluorinated bioactive molecules, where the fluorine atom can influence metabolic stability and binding affinity. High purity grades are available for precision applications.
ethyl 4-fluoro-3-iodobenzoate structure
ethyl 4-fluoro-3-iodobenzoate structure
Product Name:ethyl 4-fluoro-3-iodobenzoate
CAS No:618-93-9
MF:C9H8FIO2
MW:294.061498641968
CID:1634292
PubChem ID:12071
Update Time:2025-06-08

ethyl 4-fluoro-3-iodobenzoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-fluoro-3-iodobenzoate
    • 4-Fluoro-3-iodobenzoic acid ethyl ester
    • BENZOIC ACID,4-FLUORO-3-IODO-,ETHYL ESTER
    • Ethyl 3-iodo-4-fluorobenzoate
    • 4-09-00-01042 (Beilstein Handbook Reference)
    • AKOS017547791
    • 618-93-9
    • SCHEMBL5830745
    • BENZOIC ACID, 4-FLUORO-3-IODO-, ETHYL ESTER
    • DTXSID00210804
    • BRN 3258261
    • Inchi： 1S/C9H8FIO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
    • InChI Key： QEUVGNOTLWOYDH-UHFFFAOYSA-N
    • SMILES： IC1=C(C=CC(C(=O)OCC)=C1)F

Computed Properties

  • Exact Mass: 293.95500
  • Monoisotopic Mass: 293.95531g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • 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: 2.9
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.30000
  • LogP: 2.60700

ethyl 4-fluoro-3-iodobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1661421-1g
Ethyl 4-fluoro-3-iodobenzoate
 618-93-9 98%
1g
 ￥2446.00 2024-05-06
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1661421-5g
Ethyl 4-fluoro-3-iodobenzoate
 618-93-9 98%
5g
 ￥6840.00 2024-05-06

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