Methylthymol Blue sodium salt

Base Information

• Chemical Name: Methylthymol Blue sodium salt
• CAS No.: 1945-77-3
• Molecular Formula: C37H40N2Na4O13S
• Molecular Weight: 844.74
• Hs Code.: 2934 99 90
• European Community (EC) Number: 217-743-3
• Mol file: 1945-77-3.mol

Synonyms:Methylthymol Blue sodium salt;1945-77-3;Methylthymol blue (tetrasodium);108722-19-6;tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate;HY-W110904;CS-0169083;NS00082059;sodium 2-{[(3-{3-[3-({bis[2-oxo-2-(sodiooxy)ethyl]amino}methyl)-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-1,1-dioxo-3H-2,1-benzoxathiol-3-yl}-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl)methyl][2-oxo-2-(sodiooxy)ethyl]amino}acetate;sodium 2-{[(3-{3-[3-({bis[2-oxo-2-(sodiooxy)ethyl]amino}methyl)-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-1,1-dioxo-3H-2,1lambda-benzoxathiol-3-yl}-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl)methyl][2-oxo-2-(sodiooxy)ethyl]amino}acetate

Chemical Property of Methylthymol Blue sodium salt

Chemical Property:

• Appearance/Colour: green-brown crystalline powder
• Vapor Pressure: 3.9E-34mmHg at 25°C
• Refractive Index: 1.635
• Boiling Point: 891.6 °C at 760 mmHg
• Flash Point: 493 °C
• PSA: 247.89000
• Density: 1.427g/cm³
• LogP: 4.99540
• Storage Temp.: Store below +30°C.
• Solubility.: 460g/l
• Water Solubility.: Soluble in water (460 g/L) at 20°C.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 16
• Exact Mass: 844.18418764
• Heavy Atom Count: 57
• Complexity: 1350

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methylthymol Blue W/S ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 5-36/37/38
• Safety Statements: 24/25-36-26-15

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C(=C1CN(CC(=O)[O-])CC(=O)[O-])O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)CN(CC(=O)[O-])CC(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]
• Uses: Methylthymol Blue sodium salt is used as thymol-containing organic dye. It is used as an indicator for complexometry. It is used in determination of sulfate in rainwater. It combines with silica gel and aids in the separation and preconcentration of trace amounts of heavy metals from some salts.