C.I. Direct blue 80

Base Information

• Chemical Name: C.I. Direct blue 80
• CAS No.: 12222-00-3
• Deprecated CAS: 74411-35-1,74411-36-2
• Molecular Formula: C32H14Cu2N4Na4O16S4
• Molecular Weight: 1057.78184
• European Community (EC) Number: 235-414-2
• UNII: 2UCJ11P9F6
• Mol file: 12222-00-3.mol

Synonyms:C.I. DIRECT BLUE 80;Direct Blue 80;12222-00-3;CI Direct Blue 80;2UCJ11P9F6;EINECS 235-414-2;EC 235-414-2;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;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'-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;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;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;Tetrasodium (mu-((4,4'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-hydroxynaphthalene-2,7-disulphonato))(8-)))dicuprate(4-);Tetrasodium [mu-[[4,4'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicuprate(4-);UNII-2UCJ11P9F6;Cuprate(4-), [?-[[4,4'-[(3,3'-dihydroxy[ 1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy -2,7-naphthalenedisulfonato]](8-)]]di-, tetrasodium;W-110292;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);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);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;TETRASODIUM (.MU.-((4,4'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(3-HYDROXYNAPHTHALENE-2,7-DISULPHONATO))(8-)))DICUPRATE(4-)

Chemical Property of C.I. Direct blue 80

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• PSA: 392.68000
• Density: 1.729[at 20℃]
• LogP: 12.37600
• Water Solubility.: 26.12g/L at 20℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 5
• Exact Mass: 1055.747036
• Heavy Atom Count: 62
• Complexity: 1720

Purity/Quality:

99.9% ^*data from raw suppliers

Direct Blue 80 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])N=NC5=C6C=CC(=CC6=CC(=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]