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Merck
CN

76270

Patent Blue V calcium salt

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C27H31N2O7S2 · 0.5Ca
CAS Number:
3536-49-0
Molecular Weight:
579.71
EC Number:
222-573-8
PubChem Substance ID:
24886967
UNSPSC Code:
12352200
Beilstein/REAXYS Number:
4108121
Colour Index Number:
42051
MDL number:
MFCD00038746

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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

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

suitability

suitable for microscopy

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.

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBC9111
BCBC6291
BCBC0283
BCBB1605
BCBB0029

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