Direct red 80 free acid

Base Information

• Chemical Name: Direct red 80 free acid
• CAS No.: 25188-41-4
• Molecular Formula: C45H32 N10 O21 S6
• Molecular Weight: 1241.18
• European Community (EC) Number: 607-625-3
• UNII: 29AND524MI
• DSSTox Substance ID: DTXSID0045044
• Nikkaji Number: J269.409C
• Wikidata: Q27160160,Q27254408
• ChEMBL ID: CHEMBL4082979
• Mol file: 25188-41-4.mol

Synonyms:direct red 80 free acid;25188-41-4;Sirius red F3B (acid form);29AND524MI;2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis(4-hydroxy-3-((2-sulfo-4-((4-sulfophenyl)azo)phenyl)azo)-;7,7'-(Carbonylbis(azanediyl))bis(4-hydroxy-3-((2-sulfo-4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)naphthalene-2-sulfonic acid);7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((2-sulfo-4-((4-sulfophenyl)azo)phenyl) azo)-2-naphthalenesulfonic acid);7,7'-(CARBONYLBISIMINO)BIS(4-HYDROXY-3-(4-(4-SULFOPHENYLAZO)-2-SULFOPHENYLAZO)-2-NAPHTHALENESULFONIC ACID);7,7'-(Carbonylbisimino)bis[4-hydroxy-3-[4-(4-sulfophenylazo)-2-sulfophenylazo]-2-naphthalenesulfonic acid];Sirius red F3B free acid;direct red 80 (acid form);C.I. Direct Red 80 parent;CHEMBL4082979;DTXSID0045044;SCHEMBL19958353;CHEBI:88280;J269.409C;LS-194371;Q27160160;Q27254408;2-NAPHTHALENESULFONIC ACID, 7,7'-(CARBONYLDIIMINO)BIS(4-HYDROXY-3-(2-(2-SULFO-4-(2-(4-SULFOPHENYL)DIAZENYL)PHENYL)DIAZENYL)-;7,7'-(carbonyldiazanediyl)bis[4-hydroxy-3-({2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid]

Chemical Property of Direct red 80 free acid

Chemical Property:

• Refractive Index: 1.801
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 549.99000
• Density: 1.85g/cm³
• LogP: 13.71120
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 16
• Exact Mass: 1240.0067751
• Heavy Atom Count: 82
• Complexity: 2870

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC(=O)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=C(C=C(C=C7)N=NC8=CC=C(C=C8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O