ACID BLUE 1

Base Information

• Chemical Name: ACID BLUE 1
• CAS No.: 30586-15-3
• Deprecated CAS: 66554-69-6,81604-53-7,220750-19-6,856315-34-9,64366-33-2,220750-19-6,81604-53-7,856315-34-9
• Molecular Formula: C37H29 N3 O6 S2 . Na
• Molecular Weight: 697.75449
• European Community (EC) Number: 204-934-1,204-165-1,608-505-3
• UN Number: 1602
• UNII: FH1929ICIT
• DSSTox Substance ID: DTXSID3026065
• Wikidata: Q27116317
• NCI Thesaurus Code: C77578
• Metabolomics Workbench ID: 67563
• ChEMBL ID: CHEMBL1731183
• Mol file: 30586-15-3.mol

Synonyms:C.I. AcidBlue 48 (7CI); C.I. Acid Blue 48, monosodium salt (8CI); Acid Blue 48; BlueBSC; C.I. 42770; Methyl Blue H; Soluble Blue 6B; Soluble Blue 6BP; Soluble BlueGBP; Soluble blue

Chemical Property of ACID BLUE 1

Chemical Property:

• Melting Point: 200 °C
• PSA: 164.75000
• LogP: 10.33280
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 566.15212334
• Heavy Atom Count: 38
• Complexity: 1040

Purity/Quality:

99% ^*data from raw suppliers

Patent Blue V Sodium Salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Di- and Triaryl Dyes
• Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]