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74748 Supelco

Patent Blue V calcium salt

analytical standard

Synonym: Acid Blue 3 calcium salt, Acid Blue V calcium salt, Food Blue 5, Patent Blue V hemicalcium salt

  • CAS Number 3536-49-0

  • Empirical Formula (Hill Notation) C27H31N2O7S2 · 0.5Ca

  • Molecular Weight 579.71

  •  Colour Index Number 42051

  •  Beilstein/REAXYS Number 4108121

  •  EC Number 222-573-8

  •  MDL number MFCD00038746

  •  PubChem Substance ID 329765837

  •  E Number E131

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Properties

Related Categories Additional Standards, All Alphabetically Sorted, All alphabetical sorted, Analytical Standards, Analytical/Chromatography,
Quality Level   100
grade   analytical standard
assay   ≥97.0% (HPLC)
form   neat
application(s)   HPLC: suitable
  gas chromatography (GC): suitable
Featured Industry   Cleaning Products
Cosmetics
Food and Beverages
Personal Care
format   neat
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

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

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 & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
RTECS 
KH2752000
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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