Cas no 3687-83-0 (1-Naphthalenesulfonicacid, 4-amino-5-hydroxy-6-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodiumsalt (1:1))

1-Naphthalenesulfonicacid, 4-amino-5-hydroxy-6-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodiumsalt (1:1) structure
3687-83-0 structure
Product Name:1-Naphthalenesulfonicacid, 4-amino-5-hydroxy-6-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodiumsalt (1:1)
CAS No:3687-83-0
MF:C16H10N5NaO9S
MW:471.333472728729
CID:309193
PubChem ID:135666560
Update Time:2025-04-19

1-Naphthalenesulfonicacid, 4-amino-5-hydroxy-6-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodiumsalt (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenesulfonicacid, 4-amino-5-hydroxy-6-[2-(2-hydroxy-3,5-dinitrophenyl)diazenyl]-, sodiumsalt (1:1)
    • C.I. Mordant Green 14
    • sodium (6E)-4-amino-6-[2-(2-hydroxy-3,5-dinitrophenyl)hydrazinylidene]-5-oxo-5,6-dihydronaphthalene-1-sulfonate
    • Sodium 4-amino-5-hydroxy-6-((2-hydroxy-3,5-dinitrophenyl)azo)naphthalene-1-sulphonate
    • NS00048579
    • EINECS 222-985-8
    • 3687-83-0
    • SODIUM 4-AMINO-5-HYDROXY-6-[(2-HYDROXY-3,5-DINITROPHENYL)AZO]NAPHTHALENE-1-SULFONATE
    • Inchi: 1S/C16H11N5O9S.Na/c17-9-2-4-13(31(28,29)30)8-1-3-10(16(23)14(8)9)18-19-11-5-7(20(24)25)6-12(15(11)22)21(26)27;/h1-6,22-23H,17H2,(H,28,29,30);/q;+1/p-1/b19-18+;
    • InChI Key: YMFGKYYZIZXBLU-LTRPLHCISA-M
    • SMILES: S(C1C=CC(=C2C(=C(C=CC2=1)/N=N/C1C=C(C=C(C=1O)[N+](=O)[O-])[N+](=O)[O-])O)N)(=O)(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 471.0098
  • Monoisotopic Mass: 471.009692
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 2
  • Complexity: 906
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 245

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 231.19
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