76270

Patent Blue V calcium salt

for microscopy

• Synonym(s): Acid Blue 3 calcium salt, Acid Blue V calcium salt, Food Blue 5, Patent Blue V hemicalcium salt
• Empirical Formula (Hill Notation): C₂₇H₃₁N₂O₇S₂ · 0.5Ca
• CAS Number: 3536-49-0
• Molecular Weight: 579.71
• Colour Index Number: 42051
• Beilstein/REAXYS Number: 4108121
• EC Number: 222-573-8
• MDL number: MFCD00038746
• UNSPSC Code: 12352200
• PubChem Substance ID: 24886967

Properties

• grade: for microscopy
• SMILES string: [Ca++].CCN(CC)c1ccc(cc1)\C(=C2/C=C\C(C=C2)=[N+](\CC)CC)c3cc(O)c(cc3S([O-])(=O)=O)S([O-])(=O)=O.CCN(CC)c4ccc(cc4)C(=C5/C=C\C(C=C5)=[N+](\CC)CC)\c6cc(O)c(cc6S([O-])(=O)=O)S([O-])(=O)=O
• InChI: 1S/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2
• InChI key: RTMBGDBBDQKNNZ-UHFFFAOYSA-L

Description

Other Notes

Literature for Patent Blue Violet discusses two dyes which are very similar, Color Index Numbers 42045 and 42051. Structurally they differ with regard to the substituents on one of the aromatic rings. C.I. 42045 is 2,4-disulfo-substituted while C.I. 42051 is 2,4-disulfo-5-hydroxy-substituted. This is the latter form.

Safety Information

• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)