Cas no 13083-09-5 (2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5))

2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5) structure
13083-09-5 structure
Product Name:2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5)
CAS No:13083-09-5
MF:C30H15N4Na5O16S5
MW:962.731155633926
CID:153691
PubChem ID:135755605
Update Time:2025-04-19

2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5) Chemical and Physical Properties

Names and Identifiers

    • 2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5)
    • 2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-6-sulfo-1-napht...
    • 2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,so
    • pentasodium 4-[[4-[(3,6-disulphonato-1-naphthyl)azo]-6-sulphonato-1-naphthyl]azo]-3-hydroxynaphthalene-2,7-disulphonate
    • Pentasodium 4-((4-((3,6-disulphonato-1-naphthyl)azo)-6-sulphonato-1-naphthyl)azo)-3-hydroxynaphthalene-2,7-disulphonate
    • pentasodium 4-[(E)-{4-[(2Z)-2-(2-oxo-3,6-disulfonatonaphthalen-1(2H)-ylidene)hydrazinyl]-7-sulfonatonaphthalen-1-yl}diazenyl]naphthalene-2,7-disulfonate
    • Pentasodium 4-[[4-[(3,6-disulfonato-1-naphthyl)azo]-6-sulfonato-1-naphthyl]azo]-3-hydroxynaphthalene-2,7-disulfonate
    • 3-Hydroxy[4,4'-[6-[(sodiooxy)sulfonyl]naphthalene-1,4-diylbisazo]bis(2,7-naphthalene-disulfonic acid disodium)] salt
    • NS00051123
    • 13083-09-5
    • EINECS 235-993-1
    • Inchi: 1S/C30H20N4O16S5.5Na/c35-30-28(55(48,49)50)12-16-10-18(52(39,40)41)2-5-22(16)29(30)34-32-25-7-8-26(24-13-19(53(42,43)44)3-6-23(24)25)31-33-27-14-20(54(45,46)47)11-15-9-17(51(36,37)38)1-4-21(15)27;;;;;/h1-14,35H,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;;/q;5*+1/p-5/b33-31+,34-32+;;;;;
    • InChI Key: BRDKDUIVKAWUDZ-IALQXBNOSA-I
    • SMILES: S(C1C(=C(C2C=CC(=CC=2C=1)S(=O)(=O)[O-])/N=N/C1=CC=C(C2=CC(=CC=C21)S(=O)(=O)[O-])/N=N/C1=CC(=CC2C=C(C=CC=21)S(=O)(=O)[O-])S(=O)(=O)[O-])O)(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 961.85775
  • Monoisotopic Mass: 961.857507
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 20
  • Heavy Atom Count: 60
  • Rotatable Bond Count: 4
  • Complexity: 2100
  • Covalently-Bonded Unit Count: 6
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 394

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 352.18

2,7-Naphthalenedisulfonicacid,4-[2-[4-[2-(3,6-disulfo-1-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-3-hydroxy-,sodium salt (1:5) Related Literature

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