Cas no 1416438-29-3 (4-bromoquinoline-8-carboxylic acid)

4-Bromoquinoline-8-carboxylic acid is a brominated quinoline derivative with a carboxylic acid functional group at the 8-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and coordination complexes. The bromine substituent at the 4-position enhances reactivity for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, while the carboxylic acid group allows for further derivatization via amidation or esterification. Its well-defined structure and functional group compatibility make it valuable for constructing complex heterocyclic frameworks. The compound is typically handled under standard laboratory conditions, with stability suitable for controlled synthetic applications.
4-bromoquinoline-8-carboxylic acid structure
1416438-29-3 structure
Product Name:4-bromoquinoline-8-carboxylic acid
CAS No:1416438-29-3
MF:C10H6BrNO2
MW:252.064141750336
MDL:MFCD22690554
CID:1016059
PubChem ID:71742974
Update Time:2025-06-07

4-bromoquinoline-8-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-bromoquinoline-8-carboxylic acid
    • SCHEMBL17047336
    • CS-0199318
    • AKOS026751538
    • SB71930
    • 4-BROMOQUINOLINE-8-CARBOXYLICACID
    • 1416438-29-3
    • 8-Quinolinecarboxylic acid, 4-bromo-
    • BS-50596
    • MDL: MFCD22690554
    • Inchi: 1S/C10H6BrNO2/c11-8-4-5-12-9-6(8)2-1-3-7(9)10(13)14/h1-5H,(H,13,14)
    • InChI Key: CYYGVTADNDJJFZ-UHFFFAOYSA-N
    • SMILES: BrC1C=CN=C2C(C(=O)O)=CC=CC2=1

Computed Properties

  • Exact Mass: 250.95819g/mol
  • Monoisotopic Mass: 250.95819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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: 2.4
  • Topological Polar Surface Area: 50.2?2

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