Cas no 82-47-3 (1,3-Naphthalenedisulfonicacid, 4-amino-5-hydroxy-)

1,3-Naphthalenedisulfonicacid, 4-amino-5-hydroxy- structure
82-47-3 structure
Product Name:1,3-Naphthalenedisulfonicacid, 4-amino-5-hydroxy-
CAS No:82-47-3
MF:C10H9NO7S2
MW:319.310960531235
CID:721787
PubChem ID:65740
Update Time:2025-04-19

1,3-Naphthalenedisulfonicacid, 4-amino-5-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Naphthalenedisulfonicacid, 4-amino-5-hydroxy-
    • 4-amino-5-hydroxynaphthalene-1,3-disulfonic acid
    • 1,3-Naphthalenedisulfonic acid,4-amino-5-hydroxy
    • 1-amino-8-hydroxynaphthalene-2,4-disulfonic acid
    • 1-amino-8-hydroxy-naphthalene-2,4-disulphonic acid
    • 1-Amino-8-naphthol-2,4-disulfonic acid
    • 1-amino-8-naphthol-2,4-disulphonic acid
    • 4-Amino-5-hydroxy-1,3-naphthalenedisulfonic acid
    • 5-hydroxy-4-aminonaphthalene-1,3-disulphonic acid
    • 8-amino-1-naphthol-5,7-disulphonic acid
    • Chicago acid
    • SS Acid
    • 4-amino-5-hydroxy-naphthalene-1,3-disulfonic acid
    • VS-13152
    • NSC7111
    • 4-amino-5-hydroxynaphthalene-1,3-disulfonicacid
    • Chicagosaure
    • 1,3-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-
    • DTXSID8058875
    • AKOS025261090
    • SCHEMBL156055
    • NS00038205
    • MDC29TF2QM
    • A840350
    • NSC 7111
    • 82-47-3
    • 8-Amino-1-naphthol-5,7-disulfonic acid
    • 4-Amino-5-hydroxynaphthalene-1,3-disulphonic acid
    • NSC-7111
    • EINECS 201-425-6
    • Inchi: 1S/C10H9NO7S2/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
    • InChI Key: ZFRBZRZEKIOGQI-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C(=C2C(=CC=CC2=1)O)N)S(=O)(=O)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 318.98200
  • Monoisotopic Mass: 318.982
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 561
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 172A^2
  • Surface Charge: 0
  • Tautomer Count: 13
  • XLogP3: 0.2

Experimental Properties

  • Color/Form: White to grayish brown powder
  • Density: 1.88
  • Refractive Index: 1.764
  • PSA: 171.75000
  • LogP: 3.36380
  • Solubility: Soluble in water and sodium hydroxide solution
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