Cas no 6402-02-4 (5-Bromoindolin-3-one)

5-Bromoindolin-3-one is a brominated indole derivative characterized by the presence of a bromine atom at the 5-position and a ketone group at the 3-position of the indoline scaffold. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and biologically active molecules. Its bromine substituent enhances reactivity in cross-coupling reactions, facilitating further functionalization. The ketone moiety provides a handle for nucleophilic additions or reductions, enabling structural diversification. 5-Bromoindolin-3-one is valued for its stability, well-defined reactivity, and compatibility with a range of synthetic transformations, making it a useful building block in medicinal chemistry and materials science research.
5-Bromoindolin-3-one structure
5-Bromoindolin-3-one structure
Product Name:5-Bromoindolin-3-one
CAS No:6402-02-4
MF:C8H6BrNO
MW:212.043341159821
CID:961084
PubChem ID:10236093
Update Time:2025-05-21

5-Bromoindolin-3-one Chemical and Physical Properties

Names and Identifiers

    • 5-Bromoindolin-3-one
    • 5-Bromo-1,2-dihydro-indol-3-one
    • 3-INDOLINONE,5-BROMO
    • 5-BROMO-3-INDOLINONE
    • 6402-02-4
    • 5-bromo-1,2-dihydro-indol-3-one, AldrichCPR
    • 5-bromo-1,2-dihydroindol-3-one
    • AB27760
    • DTXSID10437040
    • SCHEMBL5325611
    • DB-073426
    • MDL： MFCD06738731
    • Inchi： 1S/C8H6BrNO/c9-5-1-2-7-6(3-5)8(11)4-10-7/h1-3,10H,4H2
    • InChI Key： VGYNCASKYPVXGI-UHFFFAOYSA-N
    • SMILES： BrC1C=CC2=C(C=1)C(CN2)=O

Computed Properties

  • Exact Mass: 210.96300
  • Monoisotopic Mass: 210.96328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 183
  • 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: 2.2
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.10000
  • LogP: 2.19530

5-Bromoindolin-3-one Security Information

  • Hazard Category Code： 22
  • Hazardous Material Identification： Xn

5-Bromoindolin-3-one 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-Bromoindolin-3-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Crysdot LLC
CD11082036-1g
5-Bromoindolin-3-one
 6402-02-4 95+%
1g
 $356 2024-07-18

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