Cas no 3769-61-7 (2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodiumsalt (1:2))

2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodiumsalt (1:2) structure
3769-61-7 structure
Product Name:2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodiumsalt (1:2)
CAS No:3769-61-7
MF:C16H9N5Na2O12S2
MW:573.378502607346
CID:309993
PubChem ID:135755573
Update Time:2025-04-19

2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodiumsalt (1:2) Chemical and Physical Properties

Names and Identifiers

    • 2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodiumsalt (1:2)
    • disodium (3E)-5-amino-3-[2-(2-hydroxy-3,5-dinitrophenyl)hydrazinylidene]-4-oxo-3,4-dihydronaphthalene-2,7-disulfonate
    • Disodium 5-amino-4-hydroxy-3-((2-hydroxy-3,5-dinitrophenyl)azo)naphthalene-2,7-disulphonate
    • EINECS 223-204-3
    • NS00045253
    • 3769-61-7
    • DISODIUM 5-AMINO-4-HYDROXY-3-[(2-HYDROXY-3,5-DINITROPHENYL)AZO]NAPHTHALENE-2,7-DISULFONATE
    • Inchi： 1S/C16H11N5O12S2.2Na/c17-9-5-8(34(28,29)30)1-6-2-12(35(31,32)33)14(16(23)13(6)9)19-18-10-3-7(20(24)25)4-11(15(10)22)21(26)27;;/h1-5,22-23H,17H2,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b19-18+;;
    • InChI Key： BQGYUNGTFSKSJF-BUFQOAPZSA-L
    • SMILES： S(C1=C(C(=C2C(=CC(=CC2=C1)S(=O)(=O)[O-])N)O)/N=N/C1C=C(C=C(C=1O)[N+](=O)[O-])[N+](=O)[O-])(=O)(=O)[O-].[Na+].[Na+]

Computed Properties

  • Exact Mass: 572.94857
  • Monoisotopic Mass: 572.94845165g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 2
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 314?2

Experimental Properties

  • PSA: 288.39

2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodiumsalt (1:2) Related Literature

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