Cas no 12222-00-3 (Direct Blue 80)

Direct Blue  80 structure
Direct Blue 80 structure
Product Name:Direct Blue 80
CAS No:12222-00-3
MF:C32H14Cu2N4Na4O16S4
MW:1057.78184938431
CID:86728
PubChem ID:25533
Update Time:2025-04-18

Direct Blue 80 Chemical and Physical Properties

Names and Identifiers

    • Direct Blue 80
    • DIRECT BLUE 2RL
    • [6-hydroxy-5-[2-hydroxy-4-[3-hydroxy-4-[[2-hydroxy-3,6-bis(sodiooxysulfonyl)-1-naphthyl]azo]phenyl]phenyl]azo-7-sodiooxysulfonyl-2-naphthyl]sulfonyloxysodium
    • C.I. Direct Blue 80
    • copper(2+) sodium 4,4'-[(3,3'-dioxidobiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(3-oxidonaphthalene-2,7-disulfonate) (2:4:1)
    • EINECS 235-414-2
    • -[[4,4'-[[3,3'-di(hydroxy-κO)[1,1'-biphenyl]-4,4'-diyl]bis(azo-κN')]bis[3-(hydroxy-κO)-2,7-naphthalenedisulfonato]] ]]di-, tetrasodium
    • Cuprate, [μ-[[4,4'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-2,7-naphthalenedisulfonato]]]]di-, tetrasodium
    • Benzanil Supra Blue 2RLL
    • Chlorantine Fast Blue 2RLL
    • Intralite Blue NBLL
    • Intralite Fast Blue NBLL
    • Solophenyl Blue A 4RL
    • Superlitefast Blue RL
    • Direct Blue 80
    • CUPRATE(4-), (.MU.-((4,4'-((3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL-.KAPPA.N1))BIS(3-(HYDROXY-.KAPPA.O)-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, SODIUM (1:4)
    • 2UCJ11P9F6
    • EC 235-414-2
    • W-110292
    • Cuprate(4-), (mu-((4,4'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl-kappaN1))bis(3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato))(8-)))di-, sodium (1:4)
    • NS00019481
    • CUPRATE(4-), (.MU.-((4,4'-((3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO-.KAPPA.N1))BIS(3-(HYDROXY-.KAPPA.O)-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, TETRASODIUM
    • dicopper;tetrasodium;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
    • CI Direct Blue 80
    • TETRASODIUM (.MU.-((4,4'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(3-HYDROXYNAPHTHALENE-2,7-DISULPHONATO))(8-)))DICUPRATE(4-)
    • Cuprate(4-), (mu-((4,4'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(azo-kappaN1))bis(3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium
    • CUPRATE(4-), (.MU.-((4,4'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(3-HYDROXY-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, TETRASODIUM
    • Cuprate(4-), (mu-((4,4'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-hydroxy-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium
    • UNII-2UCJ11P9F6
    • 12222-00-3
    • Tetrasodium (mu-((4,4'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-hydroxynaphthalene-2,7-disulphonato))(8-)))dicuprate(4-)
    • Inchi: 1S/C32H22N4O16S4.2Cu.4Na/c37-25-11-15(1-7-23(25)33-35-29-21-5-3-19(53(41,42)43)9-17(21)13-27(31(29)39)55(47,48)49)16-2-8-24(26(38)12-16)34-36-30-22-6-4-20(54(44,45)46)10-18(22)14-28(32(30)40)56(50,51)52;;;;;;/h1-14,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;;;/q;2*+2;4*+1/p-8/b35-33+,36-34+;;;;;;
    • InChI Key: FTGXCLZZPPMCHU-YVPKWBBTSA-F
    • SMILES: [Cu+2].[Cu+2].S(C1=C(C(=C2C=CC(=CC2=C1)S(=O)(=O)[O-])/N=N/C1C=CC(=CC=1[O-])C1C=CC(=C(C=1)[O-])/N=N/C1C(=C(C=C2C=C(C=CC2=1)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 933.91900
  • Monoisotopic Mass: 1055.747
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 20
  • Heavy Atom Count: 62
  • Rotatable Bond Count: 9
  • Complexity: 1720
  • Covalently-Bonded Unit Count: 7
  • 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: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 404A^2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 392.68000
  • LogP: 12.37600
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