Cas no 5979-27-1 (Benzenesulfonic acid,3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-4-hydroxy-5-nitro-, sodium salt(1:1))

Benzenesulfonic acid,3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-4-hydroxy-5-nitro-, sodium salt(1:1) structure
5979-27-1 structure
Product Name:Benzenesulfonic acid,3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-4-hydroxy-5-nitro-, sodium salt(1:1)
CAS No:5979-27-1
MF:C16H10N3NaO8S
MW:427.320673465729
CID:373965
PubChem ID:135750074
Update Time:2025-04-19

Benzenesulfonic acid,3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-4-hydroxy-5-nitro-, sodium salt(1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-4-hydroxy-5-nitro-, sodium salt(1:1)
    • sodium 3-[(1,5-dihydroxy-2-naphthyl)azo]-4-hydroxy-5-nitrobenzenesulphonate
    • C.I. Mordant Black 51
    • Chrome Black PBG
    • Diamond Black SP
    • Mordant Black 51
    • Benzenesulfonic acid,3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-4-hydroxy-5-nitro-,sodium salt(1:1)
    • EINECS 227-782-8
    • 5979-27-1
    • NS00046259
    • sodium;3-[(1,5-dihydroxynaphthalen-2-yl)diazenyl]-4-hydroxy-5-nitrobenzenesulfonate
    • Sodium 3-((1,5-dihydroxy-2-naphthyl)azo)-4-hydroxy-5-nitrobenzenesulphonate
    • Inchi： 1S/C16H11N3O8S.Na/c20-14-3-1-2-10-9(14)4-5-11(15(10)21)17-18-12-6-8(28(25,26)27)7-13(16(12)22)19(23)24;/h1-7,20-22H,(H,25,26,27);/q;+1/p-1/b18-17+;
    • InChI Key： MLJAXWJCHOAYFH-ZAGWXBKKSA-M
    • SMILES： S(C1C=C(C(=C(C=1)/N=N/C1=CC=C2C(=CC=CC2=C1O)O)O)[N+](=O)[O-])(=O)(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 427.00900
  • Monoisotopic Mass: 427.00863
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 3
  • Complexity: 938
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 118
  • XLogP3: nothing
  • Topological Polar Surface Area: 190

Experimental Properties

  • PSA: 196.81000
  • LogP: 4.78830

Benzenesulfonic acid,3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-4-hydroxy-5-nitro-, sodium salt(1:1) Related Literature

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