Cas no 3161-92-0 (1-Naphthalenesulfonicacid, 4,4'-azobis-, disodium salt (9CI))

1-Naphthalenesulfonicacid, 4,4'-azobis-, disodium salt (9CI) structure
3161-92-0 structure
Product Name:1-Naphthalenesulfonicacid, 4,4'-azobis-, disodium salt (9CI)
CAS No:3161-92-0
MF:C20H14N2NaO6S2
MW:465.454733371735
CID:311889
PubChem ID:54603024
Update Time:2025-04-19

1-Naphthalenesulfonicacid, 4,4'-azobis-, disodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenesulfonicacid, 4,4'-azobis-, disodium salt (9CI)
    • sodium,4-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
    • 4,4'-azo-bis-naphthalene-1-sulfonic acid , disodium-compound
    • 4,4'-Azo-bis-naphthalin-1-sulfonsaeure, Dinatrium-Verbindung
    • Cuba Orange
    • NSC80899
    • sodium;4-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
    • 3161-92-0
    • NSC-80899
    • DTXSID10713497
    • Inchi: 1S/C20H14N2O6S2.Na/c23-29(24,25)19-11-9-17(13-5-1-3-7-15(13)19)21-22-18-10-12-20(30(26,27)28)16-8-4-2-6-14(16)18;/h1-12H,(H,23,24,25)(H,26,27,28);/q;+1/b22-21+;
    • InChI Key: MCDVXSIEKJHWRS-QUABFQRHSA-N
    • SMILES: S(C1C=CC(=C2C=CC=CC2=1)/N=N/C1C=CC(=C2C=CC=CC2=1)S(=O)(=O)O)(=O)(=O)O.[Na+]

Computed Properties

  • Exact Mass: 442.02942
  • Monoisotopic Mass: 465.019097
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 778
  • 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: 150

Experimental Properties

  • Density: 1.55
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.714
  • PSA: 133.46
  • LogP: 7.06340

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