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76270

Sigma-Aldrich

Patent Blue V calcium salt

for microscopy

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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:
4108121
EC Number:
222-573-8
MDL number:
MFCD00038746
UNSPSC Code:
12352200
PubChem Substance ID:
24886967

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

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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.

comparable product

Product No.
Description
Pricing

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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