Cas no 104447-74-7 (5-Bromo-6-nitro-1H-indole)

5-Bromo-6-nitro-1H-indole is a halogenated nitroindole derivative widely utilized in organic synthesis and pharmaceutical research. Its key structural features—a bromo substituent at the 5-position and a nitro group at the 6-position—make it a versatile intermediate for constructing complex heterocyclic compounds. The electron-withdrawing nitro group enhances reactivity in nucleophilic substitution and reduction reactions, while the bromo moiety facilitates cross-coupling reactions such as Suzuki or Buchwald-Hartwig amination. This compound is particularly valuable in medicinal chemistry for the development of indole-based scaffolds with potential biological activity. Its high purity and well-defined reactivity profile ensure consistent performance in synthetic applications.
5-Bromo-6-nitro-1H-indole structure
5-Bromo-6-nitro-1H-indole structure
Product Name:5-Bromo-6-nitro-1H-indole
CAS No:104447-74-7
MF:C8H5BrN2O2
MW:241.041500806808
CID:2144949
PubChem ID:19744331
Update Time:2025-10-10

5-Bromo-6-nitro-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-6-nitro-1H-indole
    • 5-Bromo-6-nitroindole
    • 1H-Indole, 5-bromo-6-nitro-
    • PPXAIJGGCHQXBC-UHFFFAOYSA-N
    • ZB1321
    • MFCD00466463
    • CS-0160637
    • 104447-74-7
    • SCHEMBL397138
    • BS-52448
    • DB-317511
    • 5-Bromo-6-nitro-1H-indole
    • Inchi： 1S/C8H5BrN2O2/c9-6-3-5-1-2-10-7(5)4-8(6)11(12)13/h1-4,10H
    • InChI Key： PPXAIJGGCHQXBC-UHFFFAOYSA-N
    • SMILES： BrC1C(=CC2=C(C=CN2)C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 239.95344g/mol
  • Monoisotopic Mass: 239.95344g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 219
  • 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: 61.6
  • XLogP3: 2.6

5-Bromo-6-nitro-1H-indole Pricemore >>

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5-Bromo-6-nitro-1H-indole Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:104447-74-7)5-Bromo-6-nitro-1H-indole
Order Number:A905039
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:19
Price ($):225.0

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Recommended suppliers
Amadis Chemical Company Limited
(CAS:104447-74-7)5-Bromo-6-nitro-1H-indole
A905039
Purity:99%
Quantity:1g
Price ($):225.0
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