Cas no 1000341-27-4 (3-Iodo-6-(trifluoromethyl)-1H-indazole)

3-Iodo-6-(trifluoromethyl)-1H-indazole is a halogenated indazole derivative featuring both an iodine substituent and a trifluoromethyl group, which enhance its reactivity and utility in synthetic chemistry. The iodine moiety facilitates cross-coupling reactions, such as Suzuki or Sonogashira couplings, making it valuable for constructing complex heterocyclic frameworks. The electron-withdrawing trifluoromethyl group improves stability and influences the compound’s electronic properties, broadening its applicability in medicinal chemistry and agrochemical research. This compound serves as a versatile intermediate for designing pharmaceuticals, ligands, and functional materials. Its well-defined structure and reactivity profile make it a preferred choice for researchers seeking precise modifications in indazole-based scaffolds.
3-Iodo-6-(trifluoromethyl)-1H-indazole structure
1000341-27-4 structure
Product Name:3-Iodo-6-(trifluoromethyl)-1H-indazole
CAS No:1000341-27-4
MF:C8H4F3IN2
MW:312.030444145203
MDL:MFCD09263230
CID:840470
PubChem ID:24729344
Update Time:2025-06-08

3-Iodo-6-(trifluoromethyl)-1H-indazole Chemical and Physical Properties

Names and Identifiers

    • 3-Iodo-6-(trifluoromethyl)-1H-indazole
    • 3-Iodo-6-(trifluoromethyl) (1H)Indazole
    • 3-iodo-6-(trifluoromethyl)-2H-indazole
    • 1H-INDAZOLE, 3-IODO-6-(TRIFLUOROMETHYL)-
    • AK134930
    • 3-Iodo-6-trifluoromethyl-1H-indazole
    • ARPPCBLAYCXFHA-UHFFFAOYSA-N
    • 0036AA
    • 6-trifluoromethyl-3-iodo-1h-indazole
    • FCH1324172
    • MB07234
    • AX8257040
    • SCHEMBL1513093
    • 1000341-27-4
    • DTXSID40646709
    • SY103312
    • EN300-7409819
    • CS-0041074
    • AKOS016842560
    • DS-4862
    • MFCD09263230
    • DB-331356
    • MDL: MFCD09263230
    • Inchi: 1S/C8H4F3IN2/c9-8(10,11)4-1-2-5-6(3-4)13-14-7(5)12/h1-3H,(H,13,14)
    • InChI Key: ARPPCBLAYCXFHA-UHFFFAOYSA-N
    • SMILES: IC1=C2C=CC(C(F)(F)F)=CC2=NN1

Computed Properties

  • Exact Mass: 311.93713g/mol
  • Monoisotopic Mass: 311.93713g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 221
  • 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: 28.7
  • XLogP3: 3.1

Experimental Properties

  • Boiling Point: 352.0±37.0°C at 760 mmHg

3-Iodo-6-(trifluoromethyl)-1H-indazole Security Information

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