Cas no 72379-40-9 (1,5-Naphthalenediol,4,8-diamino-2,6-dibromo-)

1,5-Naphthalenediol,4,8-diamino-2,6-dibromo- structure
72379-40-9 structure
Product Name:1,5-Naphthalenediol,4,8-diamino-2,6-dibromo-
CAS No:72379-40-9
MF:C10H8Br2N2O2
MW:347.990720748901
CID:569516
PubChem ID:175046
Update Time:2025-04-19

1,5-Naphthalenediol,4,8-diamino-2,6-dibromo- Chemical and Physical Properties

Names and Identifiers

    • 1,5-Naphthalenediol,4,8-diamino-2,6-dibromo-
    • 4,8-diamino-2,6-dibromonaphthalene-1,5-diol
    • 2,6-Dibromo-4,8-diamino-1,5-dihydroxynaphthalene
    • EINECS 276-617-6
    • 1,5-Naphthalenediol, 4,8-diamino-2,6-dibromo-
    • NS00037365
    • DTXSID9072577
    • 4,8-Diamino-2,6-dibromo-1,5-naphthalenediol
    • MLQ58PE62L
    • 72379-40-9
    • Inchi: 1S/C10H8Br2N2O2/c11-3-1-5(13)7-8(9(3)15)6(14)2-4(12)10(7)16/h1-2,15-16H,13-14H2
    • InChI Key: HVZHDPROXKTWAQ-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=C2C(=C(C=C(C2=C1O)N)Br)O)N

Computed Properties

  • Exact Mass: 345.89524
  • Monoisotopic Mass: 345.895
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 243
  • 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
  • Surface Charge: 0
  • Tautomer Count: 31
  • XLogP3: 3.6
  • Topological Polar Surface Area: 92.5?2

Experimental Properties

  • Density: 2.211
  • Boiling Point: 547.4°C at 760 mmHg
  • Flash Point: 284.8°C
  • Refractive Index: 1.874
  • PSA: 92.5
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