1945-77-3

Basic information

• Product Name: METHYLTHYMOL BLUE
• Synonyms: THYMOLSULFONEPHTHALEINDI-(METHYL-IMINODIACETIC ACID) SODIUM SALT;ethyl)-3,1-phenylene]methylene]]bis[n-(carboxymethyl)-,s,s-dioxide,tetrasodiu;glycine,n,n’-[3h-2,1-benzoxathiol-3-ylidenebis[[6-hydroxy-2-methyl-5-(1-methyl;Glycine,N,N’-[3H-2,1-benzoxathiol-3-ylidenebis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-,S,S-dioxide,tetrasodiumsalt;N-METHYLTHYMOL BLUE;N-METHYLTHYMOL BLUE SODIUM SALT;MTB;METHYLTHYMOL BLUE
• CAS NO: 1945-77-3
• Molecular Formula: C37H40N2Na4O13S
• Molecular Weight: 844.74
• EINECS: 217-743-3
• Product Categories: Analytical Chemistry;Chelating Reagents;Complexones;Photometric Reagents (Complexone)
• Mol File: 1945-77-3.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 891.6 °C at 760 mmHg
• Flash Point: 493 °C
• Appearance: Dark green to reddish-brown/Powder
• Density: 1.427g/cm³
• Vapor Pressure: 3.9E-34mmHg at 25°C
• Refractive Index: 1.635
• Storage Temp.: Store below +30°C.
• Solubility: 460g/l
• Water Solubility: Soluble in water (460 g/L) at 20°C.
• Stability: Stable. Incompatible with strong oxidizing agents.
• CAS DataBase Reference: METHYLTHYMOL BLUE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYLTHYMOL BLUE(1945-77-3)
• EPA Substance Registry System: METHYLTHYMOL BLUE(1945-77-3)

Safety Data

• Hazard Codes: Xi
• Statements: 5-36/37/38
• Safety Statements: 24/25-36-26-15
• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 1945-77-3(Hazardous Substances Data)

Usage

Description

METHYLTHYMOL BLUE is a thymol-containing organic dye, characterized by its green-brown crystalline powder form. It is known for its utility in various analytical and industrial applications due to its unique chemical properties.

Uses

Used in Analytical Chemistry:
METHYLTHYMOL BLUE is used as an indicator for complexometry, a technique used to determine the concentration of metal ions in a solution by forming a colored complex with a ligand.
Used in Environmental Science:
In the field of environmental science, METHYLTHYMOL BLUE is utilized in the determination of sulfate in rainwater, which is crucial for understanding the impact of air pollution on ecosystems and human health.
Used in Chromatography:
METHYLTHYMOL BLUE combines with silica gel and is employed in chromatography techniques to aid in the separation and preconcentration of trace amounts of heavy metals from some salts. This application is particularly important in the fields of chemistry and materials science, where the analysis of trace elements is essential for various research and industrial processes.

Purification Methods

Methyl Thymol Blue, sodium salt [1945-77-3] M 844.8,  1.89 x 104 at 435nm, pH 5.5, 252525 25 25 25 25pK 1 3.0, pK 2 3.3, pK 3 3.8, pK 4 7.4 (pK 4 7.2) , pK 5 11.5 pK 6 13.4. The starting material for synthesis is Thymol Blue. Purify it as for Xylenol Orange on in “Heterocyclic Compounds”, Chapter 4. [Tereshin et al. J Anal Chem USSR (Engl Trans) 20 1138 1965, K.rbl & Kakác Collect Czech Chem Commun 23 889 1958, Beilstein 19/8 V 2830.]

InChI:InChI=1/C37H44N2O13S/c1-19(2)23-11-28(21(5)25(35(23)48)13-38(15-31(40)41)16-32(42)43)37(27-9-7-8-10-30(27)53(50,51)52-37)29-12-24(20(3)4)36(49)26(22(29)6)14-39(17-33(44)45)18-34(46)47/h7-12,19-20,48-49H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)