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

Chemical Properties

green-brown crystalline powder

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.

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)