C.I. Direct Black 80

Base Information

• Chemical Name: C.I. Direct Black 80
• CAS No.: 8003-69-8
• Deprecated CAS: 39384-51-5
• Molecular Formula: C36H23N8O11S3Na
• Molecular Weight: 908.79
• European Community (EC) Number: 232-322-4,814-746-7
• DSSTox Substance ID: DTXSID10873429
• Mol file: 8003-69-8.mol

Synonyms:C.I. Direct Black 80;8003-69-8;EINECS 232-322-4;trisodium;6-amino-3-[[7-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-8-hydroxy-6-sulfonatonaphthalen-2-yl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;2-Naphthalenesulfonic acid, 6-((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-((4-((4-amino-6(or 7)-sulfo-1-naphthalenyl)azo)phenyl)azo)-4-hydroxy-, trisodium salt;Trisodium 6-((7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-((4-((4-amino-6(or 7)-sulphonatonaphthyl)azo)phenyl)azo)-4-hydroxynaphthalene-2-sulphonate;C.I. 31600;2-Naphthalenesulfonic acid, 6-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-3-[[4-[[4-amino-6(or 7)-sulfo-1-naphthalenyl]azo]phenyl]azo]-4-hydroxy-, trisodium salt;DTXSID10873429;LS-2187;W-110239;2-Naphthalenesulfonic acid, 6-(2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-(2-(4-(2-(4-amino-6(or 7)-sulfo-1-naphthalenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:3);6409-32-1;Trisodium 6-amino-3-{[7-({4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl}diazenyl)-8-hydroxy-6-sulfonatonaphthalen-2-yl]diazenyl}-4-hydroxynaphthalene-2-sulfonate

Chemical Property of C.I. Direct Black 80

Chemical Property:

• Appearance/Colour: dark blue to black powder
• PSA: 363.40000
• LogP: 12.08510
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 6
• Exact Mass: 908.03414995
• Heavy Atom Count: 61
• Complexity: 1830

Purity/Quality:

98% ^*data from raw suppliers

Direct black 80 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)[O-])N=NC4=C(C=C5C=CC(=CC5=C4O)N=NC6=C(C=C7C=CC(=CC7=C6O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]