Cas no 68959-10-4 (2,7-Naphthalenedisulfonicacid, 4-[2-(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, barium salt(2:3))

2,7-Naphthalenedisulfonicacid, 4-[2-(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, barium salt(2:3) structure
68959-10-4 structure
Product Name:2,7-Naphthalenedisulfonicacid, 4-[2-(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, barium salt(2:3)
CAS No:68959-10-4
MF:C34H20Ba3Cl2N4O20S6
MW:1479.81438732147
CID:505049
PubChem ID:111946
Update Time:2025-04-19

2,7-Naphthalenedisulfonicacid, 4-[2-(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, barium salt(2:3) Chemical and Physical Properties

Names and Identifiers

    • 2,7-Naphthalenedisulfonicacid, 4-[2-(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, barium salt(2:3)
    • tribarium bis[4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxynaphthalene-2,7-disulphonate]
    • 2,7-Naphthalenedisulfonic acid, 4-((5-chloro-4-methyl-2-sulfophenyl)azo)-3-hydroxy-, barium salt (2:3)
    • 2,7-Naphthalenedisulfonic acid, 4-(2-(5-chloro-4-methyl-2-sulfophenyl)diazenyl)-3-hydroxy-, barium salt (2:3)
    • barium (4E)-4-[2-(5-chloro-4-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxo-3,4-dihydronaphthalene-2,7-disulfonate (3:2)
    • Tribarium bis(4-((5-chloro-4-methyl-2-sulphonatophenyl)azo)-3-hydroxynaphthalene-2,7-disulphonate)
    • NS00062107
    • DTXSID9071923
    • EINECS 273-396-8
    • 2,7-Naphthalenedisulfonic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-, barium salt (2:3)
    • 68959-10-4
    • Inchi： 1S/2C17H13ClN2O10S3.3Ba/c2*1-8-4-14(32(25,26)27)13(7-12(8)18)19-20-16-11-3-2-10(31(22,23)24)5-9(11)6-15(17(16)21)33(28,29)30;;;/h2*2-7,21H,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;;3*+2/p-6/b2*20-19+;;;
    • InChI Key： XNQTVNKHGQNOQM-ZELMBCLWSA-H
    • SMILES： [Ba+2].[Ba+2].[Ba+2].ClC1=CC(=C(C=C1C)S(=O)(=O)[O-])/N=N/C1=C(C(=CC2C=C(C=CC=21)S(=O)(=O)[O-])S(=O)(=O)[O-])O.ClC1=CC(=C(C=C1C)S(=O)(=O)[O-])/N=N/C1=C(C(=CC2C=C(C=CC=21)S(=O)(=O)[O-])S(=O)(=O)[O-])O

Computed Properties

  • Exact Mass: 1455.5554
  • Monoisotopic Mass: 1479.552942
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 24
  • Heavy Atom Count: 69
  • Rotatable Bond Count: 4
  • Complexity: 1140
  • 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: 476

Experimental Properties

  • PSA: 433.1

2,7-Naphthalenedisulfonicacid, 4-[2-(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, barium salt(2:3) Related Literature

68959-10-4 (2,7-Naphthalenedisulfonicacid, 4-[2-(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, barium salt(2:3)) Related Products

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