Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-

Base Information

• Chemical Name: Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-
• CAS No.: 2411-89-4
• Molecular Formula: C32H32N2O12
• Molecular Weight: 636.612
• Hs Code.: 29322980
• European Community (EC) Number: 219-318-8
• NSC Number: 298195
• UNII: A4P6737I7F
• DSSTox Substance ID: DTXSID5062392
• Nikkaji Number: J7.884K
• Wikidata: Q907634
• Mol file: 2411-89-4.mol

Synonyms:2-cresolphthalexon;2-cresolphthalexon, tetrasodium salt;cresolphthalein complexone;o-cresolphthalexon;ortho-cresolphthalexon

Chemical Property of Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 3.5E-34mmHg at 25°C
• Melting Point: 181-185 °C (dec.)(lit.)
• Boiling Point: 892.1 °C at 760 mmHg
• PKA: 1.47, 8.24(at 25℃)
• Flash Point: 493.4 °C
• PSA: 222.44000
• Density: 1.515 g/cm³
• LogP: 2.11930
• Storage Temp.: Store at RT.
• Solubility.: NaOH: soluble50mg/mL
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: -2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 14
• Exact Mass: 636.19552446
• Heavy Atom Count: 46
• Complexity: 1050

Purity/Quality:

99% ^*data from raw suppliers

Phthalein purple ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Indicator Dyes
• Canonical SMILES: CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O
• Uses: Indicator for complexometric titration of Mg, Ca, Sr and Ba. It is used as an alkaline earth metal ion indicator. Suggested to be colorless at pH 11, but turns pink in the presence of alkaline earth metals. Also utilized in an auto analyzer to determine serum calcium.

Technology Process of Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-

There total 1 articles about Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

o-cresolphthalein (596-27-0) + iminodiacetic acid (142-73-4) → ortho-cresolphthalein (2411-89-4)

Guidance literature:

With sodium hydroxide; formaldehyd;

DOI:10.1002/hlca.19540370114

Reference yield:

ortho-cresolphthalein (2411-89-4) + nickel(II) nitrate → nickel(II) cresolphthalein complex

Guidance literature:

With N-methylnicotinamide; In water; ethylene glycol; at 60°C, cresolphthalein, 1.5E-3 mol*dm**-3; Ni(2+), 9E-3 mol*dm**-3; N-methylnicotinamide, 7.5E-2 mol*dm**-3; H2O : ethylene glycol = 2 : 98; equil. const. given; not isolated; determined by UV; Kinetics;

Reference yield:

magnesium(II) nitrate (13446-18-9) + ortho-cresolphthalein (2411-89-4) → magnesium(II) cresolphthalein complex

Guidance literature:

With 4-acetylaminopyridine; In water; cresolphthalein, 1.5E-3 mol*dm**-3; Mg(2+), 9E-3 mol*dm**-3; 4-acetylaminopyridine, 7.5E-2 mol*dm**-3; at temp. from 25 to 80°C; equil. const. given; not isolated; determined by UV;

upstream raw materials:

o-cresolphthalein

iminodiacetic acid