Cas no 16768-46-0 (2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3))

2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3) structure
16768-46-0 structure
Product Name:2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3)
CAS No:16768-46-0
MF:C16H10N3NaO10S3
MW:523.449470996857
CID:221752
PubChem ID:136170927
Update Time:2025-04-19

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

Names and Identifiers

    • 2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3)
    • trisodium 5-amino-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
    • trisodium (3E)-5-amino-4-oxo-3-[2-(2-sulfonatophenyl)hydrazinylidene]-3,4-dihydronaphthalene-2,7-disulfonate
    • Trisodium 5-amino-4-hydroxy-3-((2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate
    • 5-Amino-4-hydroxy-3-[2-(sodiosulfo)phenylazo]-2,7-naphthalenedisulfonic acid disodium salt
    • EINECS 240-823-4
    • 16768-46-0
    • Inchi： 1S/C16H13N3O10S3.Na/c17-10-7-9(30(21,22)23)5-8-6-13(32(27,28)29)15(16(20)14(8)10)19-18-11-3-1-2-4-12(11)31(24,25)26;/h1-7,20H,17H2,(H,21,22,23)(H,24,25,26)(H,27,28,29);/q;+1/p-3/b19-18+;
    • InChI Key： KCMCPQZMKDSNMP-LTRPLHCISA-K
    • SMILES： S(C1=C(C(=C2C(=CC(=CC2=C1)S(=O)(=O)[O-])N)O)/N=N/C1C=CC=CC=1S(=O)(=O)[O-])(=O)(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 568.9223
  • Monoisotopic Mass: 522.94260133g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 2
  • Complexity: 989
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 268?2

Experimental Properties

  • PSA: 239.08

2,7-Naphthalenedisulfonicacid, 5-amino-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3) Related Literature

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