Acid Blue 3 Sodium Salt (~90%)
Product Code
TRC-A189810-10G
CAS Number
Product Format
Neat
Molecular Formula
C27 H31 N2 O7 S2 . Na
Molecular Weight
582.66
Product Categories
Documentation
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Product Information
Chemical Data
Analyte Name
Patent Blue 5 (E131)
CAS Number
20262-76-4
Molecular Formula
C27 H31 N2 O7 S2 . Na
Molecular Weight
582.66
Accurate Mass
582.147
SMILES
[Na+].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3cc(O)c(cc3S(=O)(=O)[O-])S(=O)(=O)[O-]
InChI
InChI=1S/C27H32N2O7S2.Na/c1-5-28(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, /h9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36), /q, +1/p-1
IUPAC
sodium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat