Cas no 892874-52-1 (7-chloroquinoline-2,3-dicarboxylic acid)

7-Chloroquinoline-2,3-dicarboxylic acid is a versatile heterocyclic compound featuring both quinoline and dicarboxylic acid functional groups. Its chlorinated quinoline core and dual carboxyl groups make it a valuable intermediate in organic synthesis, particularly for constructing complex pharmacophores or chelating ligands. The compound's rigid aromatic structure and reactive sites enable applications in coordination chemistry, catalysis, and medicinal chemistry research. Its high purity and well-defined reactivity profile facilitate precise modifications, making it suitable for developing metal-organic frameworks (MOFs) or bioactive derivatives. The presence of the electron-withdrawing chlorine substituent further enhances its utility in electrophilic substitution reactions. This compound is typically handled under controlled conditions due to its potential sensitivity.
7-chloroquinoline-2,3-dicarboxylic acid structure
892874-52-1 structure
Product Name:7-chloroquinoline-2,3-dicarboxylic acid
CAS No:892874-52-1
MF:C11H6ClNO4
MW:251.622642040253
CID:993671
PubChem ID:17039603
Update Time:2025-05-23

7-chloroquinoline-2,3-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 7-chloroquinoline-2,3-dicarboxylic acid
    • QU087
    • SCHEMBL8574083
    • FT-0719035
    • 892874-52-1
    • DTXSID80588876
    • AB45112
    • DB-078369
    • Inchi: 1S/C11H6ClNO4/c12-6-2-1-5-3-7(10(14)15)9(11(16)17)13-8(5)4-6/h1-4H,(H,14,15)(H,16,17)
    • InChI Key: HNQOGJKSDRVURM-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=CC(C(=O)O)=C(C(=O)O)N=C2C=1

Computed Properties

  • Exact Mass: 250.99900
  • Monoisotopic Mass: 250.9985354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 335
  • 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: 87.5?2

Experimental Properties

  • PSA: 87.49000
  • LogP: 2.28460

7-chloroquinoline-2,3-dicarboxylic acid Pricemore >>

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