Cas no 864773-66-0 (5-Bromo-6-fluoro-3-methyl-1H-indazole)

5-Bromo-6-fluoro-3-methyl-1H-indazole is a heterocyclic organic compound featuring a bromo and fluoro substituent on the indazole core, along with a methyl group at the 3-position. This structure imparts unique reactivity and selectivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of halogen atoms enhances its utility in cross-coupling reactions, while the methyl group contributes to steric and electronic modulation. Its well-defined molecular framework ensures consistent performance in medicinal chemistry applications, particularly in the development of kinase inhibitors and other bioactive molecules. The compound is characterized by high purity and stability, facilitating precise experimental outcomes in research and industrial settings.
5-Bromo-6-fluoro-3-methyl-1H-indazole structure
864773-66-0 structure
Product Name:5-Bromo-6-fluoro-3-methyl-1H-indazole
CAS No:864773-66-0
MF:C8H6BrFN2
MW:229.049044132233
MDL:MFCD11044590
CID:718750
PubChem ID:53408118
Update Time:2025-06-06

5-Bromo-6-fluoro-3-methyl-1H-indazole Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-6-fluoro-3-methyl-1H-indazole
    • 1H-Indazole,5-bromo-6-fluoro-3-methyl-
    • 5-bromo-6-fluoro-3-methyl-2H-indazole
    • 1H-Indazole,5-bromo-6-fluoro-3-methyl
    • 1H-Indazole, 5-bromo-6-fluoro-3-methyl-
    • PubChem22062
    • LAHMHTLOIHUMFQ-UHFFFAOYSA-N
    • RW3638
    • PB20538
    • FCH1401859
    • BC004721
    • AX8103004
    • AB0049604
    • ST1100647
    • AM20120435
    • 5-Bromo-6-fluoro-3-methyl-1H-indazole (ACI)
    • 864773-66-0
    • J-517125
    • AS-34151
    • A850409
    • SCHEMBL562141
    • AKOS016003893
    • FT-0751987
    • MFCD11044590
    • DTXSID60696185
    • CS-0050575
    • (+)-BIOTIN-EPSILON-AMINOCAPROICACID
    • DB-076657
    • MDL: MFCD11044590
    • Inchi: 1S/C8H6BrFN2/c1-4-5-2-6(9)7(10)3-8(5)12-11-4/h2-3H,1H3,(H,11,12)
    • InChI Key: LAHMHTLOIHUMFQ-UHFFFAOYSA-N
    • SMILES: BrC1C(=CC2C(C=1)=C(C)NN=2)F

Computed Properties

  • Exact Mass: 227.97000
  • Monoisotopic Mass: 227.97
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 178
  • 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: 2.7
  • Topological Polar Surface Area: 28.7

Experimental Properties

  • PSA: 28.68000
  • LogP: 2.77290

5-Bromo-6-fluoro-3-methyl-1H-indazole Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-Bromo-6-fluoro-3-methyl-1H-indazole Pricemore >>

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5-Bromo-6-fluoro-3-methyl-1H-indazole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: 4,5,6,7-Tetrachloro-2′,4′,5′,7′-tetraiodofluorescein Solvents: Acetonitrile ;  2.5 h, 20 °C
Reference
Bromination of indazoles enhanced by organic-dye, visible-light photoredox catalysis
Hornbrook, Lauren F.; et al, Tetrahedron, 2023, 142,

5-Bromo-6-fluoro-3-methyl-1H-indazole Raw materials

5-Bromo-6-fluoro-3-methyl-1H-indazole Preparation Products

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