Cas no 6470-20-8 (Acid Orange 56)

Acid Orange  56 structure
Acid Orange 56 structure
Product Name:Acid Orange 56
CAS No:6470-20-8
MF:C32H22N6Na2O8S2
MW:728.662025928497
CID:46797
PubChem ID:145868
Update Time:2025-04-18

Acid Orange 56 Chemical and Physical Properties

Names and Identifiers

    • Acid Orange 56
    • ACID ORANGE 56,CINO.ORANGE 56
    • disodium,2-[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-2-sulfonatophenyl]-5-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
    • (1,1'-Biphenyl)-2,2'-disulfonic acid,4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4'-((2-hydroxy-1-naphthalenyl)azo)-,disodium salt
    • C.I. Acid Orange 56
    • Disodium 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4'-((2-hydroxy-1-naphthyl)azo)(1,1'-biphenyl)-2,2'-disulphonate
    • EINECS 229-294-0
    • Kayanol milling rrange g
    • 1'-biphenyl]-2,2'-disulfonic acid,4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo]-4'-[(2-hydroxy-1-naphthalenyl)azo]-[ disodium salt
    • Disodium 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4'-[(2-hydroxy-1-naphthyl)azo][1,1'-biphenyl]-2,2'-disulphonate
    • NS00047802
    • 6470-20-8
    • DTXSID80889552
    • Acid Orange 56
    • (1,1'-Biphenyl)-2,2'-disulfonic acid, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-4'-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-, sodium salt (1:2)
    • [1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4'-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:2)
    • disodium;2-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-sulfonatophenyl]-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonate
    • C.I.Acid Orange 56
    • (1,1'-Biphenyl)-2,2'-disulfonic acid, 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4'-((2-hydroxy-1-naphthalenyl)azo)-, disodium salt
    • Inchi: 1S/C32H24N6O8S2.2Na/c1-19-30(32(40)38(37-19)23-8-3-2-4-9-23)35-33-21-12-14-25(28(17-21)47(41,42)43)26-15-13-22(18-29(26)48(44,45)46)34-36-31-24-10-6-5-7-20(24)11-16-27(31)39;;/h2-18,30,39H,1H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b35-33+,36-34+;;
    • InChI Key: JCGDEGCAEZOBSD-UUIOKUIJSA-L
    • SMILES: S(C1C=C(C=CC=1C1C=CC(=CC=1S(=O)(=O)[O-])/N=N/C1=C(C=CC2C=CC=CC=21)O)/N=N/C1C(N(C2C=CC=CC=2)N=C1C)=O)(=O)(=O)[O-].[Na+].[Na+]

Computed Properties

  • Exact Mass: 728.07400
  • Monoisotopic Mass: 728.073592
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 6
  • Complexity: 1550
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 230

Experimental Properties

  • PSA: 233.50000
  • LogP: 7.97320

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