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Merck
CN

V000980

Methyl Blue

Synonym(s):

Acid blue 93, Aniline blue water soluble, Cotton blue, Poirriers blue, Water blue

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About This Item

Empirical Formula (Hill Notation):
C37H27N3Na2O9S3
CAS Number:
28983-56-4
Molecular Weight:
799.80
EC Number:
249-352-9
PubChem Substance ID:
329828400
MDL number:
MFCD00058509
Colour Index Number:
42780

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InChI

1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

InChI key

MCPLVIGCWWTHFH-UHFFFAOYSA-L

SMILES string

[Na+].[Na+].OS(=O)(=O)c1ccc(Nc2ccc(cc2)\C(c3ccc(Nc4ccc(cc4)S([O-])(=O)=O)cc3)=C5/C=CC(\C=C5)=N/c6ccc(cc6)S([O-])(=O)=O)cc1

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Storage Class

13 - Non Combustible Solids

wgk

WGK 2

flash_point_f

>572.0 °F - Pensky-Martens closed cup

flash_point_c

> 300 °C - Pensky-Martens closed cup

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