Cas no 50919-46-5 (1,4-Benzenediamine, 2,3,5,6-tetrabromo-)

1,4-Benzenediamine, 2,3,5,6-tetrabromo- structure
50919-46-5 structure
Product Name:1,4-Benzenediamine, 2,3,5,6-tetrabromo-
CAS No:50919-46-5
MF:C6H4Br4N2
MW:423.725358009338
CID:363744
PubChem ID:13316128
Update Time:2025-04-19

1,4-Benzenediamine, 2,3,5,6-tetrabromo- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine, 2,3,5,6-tetrabromo-
    • 2,3,5,6-tetrabromobenzene-1,4-diamine
    • DTXSID80536574
    • 50919-46-5
    • 2,3,5,6-tetr abromo-1,4-diaminobenzene
    • SCHEMBL21987804
    • Inchi: 1S/C6H4Br4N2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H2
    • InChI Key: FLIMNQRGERYAHB-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C(=C(C=1N)Br)Br)N)Br

Computed Properties

  • Exact Mass: 419.71072
  • Monoisotopic Mass: 419.71080g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 134
  • 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: 3.3
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • PSA: 52.04
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