Cas no 28706-25-4 (2-Naphthalenesulfonicacid,7,7'-(carbonyldiimino)bis[4-hydroxy-3-[2-(6-sulfo-2-naphthalenyl)diazenyl]-,sodium salt (1:4))

2-Naphthalenesulfonicacid,7,7'-(carbonyldiimino)bis[4-hydroxy-3-[2-(6-sulfo-2-naphthalenyl)diazenyl]-,sodium salt (1:4) structure
28706-25-4 structure
Product Name:2-Naphthalenesulfonicacid,7,7'-(carbonyldiimino)bis[4-hydroxy-3-[2-(6-sulfo-2-naphthalenyl)diazenyl]-,sodium salt (1:4)
CAS No:28706-25-4
MF:C41H24N6Na4O15S4
MW:1060.87954807281
CID:271427
PubChem ID:135853609
Update Time:2025-04-19

2-Naphthalenesulfonicacid,7,7'-(carbonyldiimino)bis[4-hydroxy-3-[2-(6-sulfo-2-naphthalenyl)diazenyl]-,sodium salt (1:4) Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenesulfonicacid,7,7'-(carbonyldiimino)bis[4-hydroxy-3-[2-(6-sulfo-2-naphthalenyl)diazenyl]-,sodium salt (1:4)
    • 2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis(4-hydroxy-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)
    • 7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((6-sulfo-2-naphthalenyl)azo)-2-naphthalenesulfonic acid), tetrasodium salt
    • 7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((6-sulfonaphthalen-2-yl))azo)-2-naphthalenesulfonic acid, tetrasodium salt
    • 7,7'-Ureylenebis(4-hydroxy-3-((6-sulfo-2-naphthyl)azo)-2-naphthalenesulfonic acid), te
    • C.I. Direct Red 239
    • W-110736
    • 7,7'-(carbonyldiimino)bis4-hydroxy-3-(6-sulphonato-2-naphthyl)azonaphthalene-2-sulphonate (sodium salt)
    • DTXSID50889701
    • 28706-25-4
    • NS00049116
    • Inchi： 1S/C41H28N6O15S4.4Na/c48-39-33-11-7-27(15-25(33)19-35(65(57,58)59)37(39)46-44-29-5-1-23-17-31(63(51,52)53)9-3-21(23)13-29)42-41(50)43-28-8-12-34-26(16-28)20-36(66(60,61)62)38(40(34)49)47-45-30-6-2-24-18-32(64(54,55)56)10-4-22(24)14-30;;;;/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4/b46-44+,47-45+;;;;
    • InChI Key： VDOGYBKHFWFTCJ-CVTWRWBISA-J
    • SMILES： S(C1C(=C(C2C=CC(=CC=2C=1)NC(NC1C=CC2C(=C(C(=CC=2C=1)S(=O)(=O)[O-])/N=N/C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-])O)=O)O)/N=N/C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-])(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 1059.97762
  • Monoisotopic Mass: 1059.977326
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 70
  • Rotatable Bond Count: 12
  • Complexity: 2670
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 386

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 359.83

2-Naphthalenesulfonicacid,7,7'-(carbonyldiimino)bis[4-hydroxy-3-[2-(6-sulfo-2-naphthalenyl)diazenyl]-,sodium salt (1:4) Related Literature

28706-25-4 (2-Naphthalenesulfonicacid,7,7'-(carbonyldiimino)bis[4-hydroxy-3-[2-(6-sulfo-2-naphthalenyl)diazenyl]-,sodium salt (1:4)) Related Products

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