Acid blue 113

Base Information

• Chemical Name: Acid blue 113
• CAS No.: 3351-05-1
• Deprecated CAS: 101708-55-8,67512-10-1,67512-10-1
• Molecular Formula: C32H21N5O6S2·2Na
• Molecular Weight: 681.66
• European Community (EC) Number: 222-111-5
• UNII: 6BJW83X6LV
• DSSTox Substance ID: DTXSID7044920
• Nikkaji Number: J36.915B
• Wikidata: Q27264448
• Mol file: 3351-05-1.mol

Synonyms:Acid Blue 113;acid blue 113 free acid;Levanol Fast Cyanine 5RN;Levanol Fast Cyanine 5RN, disodium salt;Supranol Fast Cyanine 5RN

Chemical Property of Acid blue 113

Chemical Property:

• Appearance/Colour: dark blue powder
• Vapor Pressure: 0Pa at 25℃
• PSA: 192.63000
• Density: 0.9[at 20℃]
• LogP: 10.61020
• Storage Temp.: room temp
• Solubility.: DMSO, Water (Slightly)
• Water Solubility.: 100g/L at 20℃
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 681.07286432
• Heavy Atom Count: 47
• Complexity: 1230

Purity/Quality:

99% ^*data from raw suppliers

AcidBlue113(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+]
• Uses: Acid Blue 113 is a diazo dye used in the textile industry. Being difficult to remove from wastewater, Acid Blue 113 is considered a water pollutant.