Cas no 12365-92-3 (4,7-Dichloroquinolinium tribromide)

4,7-Dichloroquinolinium tribromide structure
12365-92-3 structure
Product Name:4,7-Dichloroquinolinium tribromide
CAS No:12365-92-3
MF:C9H6Br3Cl2N
MW:438.768638134003
CID:231692
PubChem ID:16204956
Update Time:2025-04-19

4,7-Dichloroquinolinium tribromide Chemical and Physical Properties

Names and Identifiers

    • 4,7-Dichloroquinolinium tribromide
    • 4,7-dichloroquinoline hydrobromide perbromide
    • EINECS 235-612-9
    • 12365-92-3
    • 4,7-dichloroquinoline;molecular bromine;hydrobromide
    • 4,7-dichloroquinolin-1-ium;tribromide
    • Inchi: 1S/C9H5Cl2N.3BrH/c10-6-1-2-7-8(11)3-4-12-9(7)5-6;;;/h1-5H;3*1H/p-2
    • InChI Key: JTCWWYAEIUMBEK-UHFFFAOYSA-L
    • SMILES: [Br-].[Br-].[Br-].ClC1C=C[NH+]=C2C=C(C=CC2=1)Cl

Computed Properties

  • Exact Mass: 428.6958
  • Monoisotopic Mass: 434.742742
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 163
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 14.1

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 14.1
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