Anazolene sodium

Base Information

• Chemical Name: Anazolene sodium
• CAS No.: 3861-73-2
• Deprecated CAS: 12226-74-3,1324-97-6
• Molecular Formula: C26H16N3O10S3^.3Na
• Molecular Weight: 695.594
• Hs Code.: 3204.12
• European Community (EC) Number: 223-378-0
• UNII: F6G1K9WJU4
• DSSTox Substance ID: DTXSID9046578
• Wikidata: Q27277715
• NCI Thesaurus Code: C74247
• ChEMBL ID: CHEMBL2106378,CHEMBL2362713
• Mol file: 3861-73-2.mol

Synonyms:AB92 dye;Acid Blue 92;C.I. Acid Blue 92

Chemical Property of Anazolene sodium

Chemical Property:

• Appearance/Colour: purple-blue fine powder
• Melting Point: >300°C
• PKA: 11.22(at 25℃)
• PSA: 245.23000
• LogP: 8.91310
• Solubility.: Solubility Soluble in water, acetone; slightly soluble in ethano
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 694.96909008
• Heavy Atom Count: 45
• Complexity: 1260

Purity/Quality:

98%,99%, ^*data from raw suppliers

Acid Blue 92 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C=C5O)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• Uses: Diagnostic aid (blood volume and cardiac output determination). Solvent Blue 37 (cas# 3861-73-2) is a compound useful in organic synthesis.