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Patent Blue V calcium salt

SIAL/74748 - 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
EC Number: 222-573-8
MDL Number: MFCD00038746
Linear Formula: C27H31N2O7S2 · 0.5Ca
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-74748-25MG 25 mg
 $142.00
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 74748-25MG

 

application(s) cleaning products
cosmetics
food and beverages
personal care
assay ≥97.0% (HPLC)
format neat
grade analytical standard
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
Quality Level 100 
shelf life limited shelf life, expiry date on the label
SMILES string [Ca++].CCN(CC)c1ccc(cc1)C(=C2/C=CC(C=C2)=[N+](CC)CC)c3cc(O)c(cc3S([O-])(=O)=O)S([O-])(=O)=O.CCN(CC)c4ccc(cc4)C(=C5/C=CC(C=C5)=[N+](CC)CC)c6cc(O)c(cc6S([O-])(=O)=O)S([O-])(=O)=O
technique(s) gas chromatography (GC): suitable
  HPLC: suitable
Application: Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
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.
Packaging: Bottomless glass bottle. Contents are inside inserted fused cone.
Recommended products: Find a digital Reference Material for this product available on our online platform ChemisTwin®  for NMR. You can use this digital equivalent on ChemisTwin®  for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here  and start your free trial .
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥97.0% (HPLC)
Colour Index Number 42051
UNSPSC 85151701

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