P6671
专利蓝V 钙盐 钙盐
Dye content ~50 %
别名:
Patent Blue V 半钙盐
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关于此项目
经验公式（希尔记法）:
C27H31N2O7S2 · 0.5Ca
化学文摘社编号:
分子量:
579.71
UNSPSC Code:
12352200
EC Number:
222-573-8
Beilstein/REAXYS Number:
4108121
Colour Index Number:
42051
MDL number:
composition
Dye content, ~50%
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
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.
存储类别
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
法规信息
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