Sodium 2-[(E)-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(carboxymethyl)amino]methyl}-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate

Basic Information

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CAS Number

63721-83-5

Molecular Formula

C31H31N2NaO13S

Molecular Weight

694.64 g/mol

EINECS

216-553-8

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

195 °C (dec.)

Boiling Point

No data available

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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Cc1cc(cc(c1O)CN(CC(=O)O)CC(=O)O)/C(=C\2/C=C(C(=O)C(=C2)CN(CC(=O)O)CC(=O)O)C)/c3ccccc3S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C31H32N2O13S.Na/c1-17-7-19(9-21(30(17)42)11-32(13-25(34)35)14-26(36)37)29(23-5-3-4-6-24(23)47(44,45)46)20-8-18(2)31(43)22(10-20)12-33(15-27(38)39)16-28(40)41;/h3-10,42H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,44,45,46);/q;+1/p-1/b29-20+;

InChIKey

VFKMJZUEFSTCGQ-PXNGTKLSSA-M

LogP

2.38520

pKa

pK2:2.58(-1);pK3:3.23(-2);pK4:6.37(-3);pK5: 10.46(-4);pK6: 12.28(-5) (25°C)

Complexity

1440

Safety Information

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Hazard Statement

Synonyms & References

English

O-CRESOLSULFONPHTHALEINDI-(METHYL-IMINODIACETIC ACID) SODIUM SALT
XYLENOL ORANGE SODIUM SALT
XYLENOL ORANGE, WATER SOLUBLE
XYLENOL ORANGE
XYLENOL ORANGE TETRASODIUM
Xylenol Orange sodium salt, 0.1% w/v aq. soln.
o-Cresolsulfonphthalein-3μ-3-bis(methyliminodiacetic acid sodium salt)
Two cresol orange indicator
Xylenol Orange sodium salt
o-Cresolsulfonphthalein-3μ-3-bis(methyliminodiacetic acid sodium salt)
Aceticacid,[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-m-phenylene)methylenenitrilo]]tetra-,S,S-dioxide, sodium salt (8CI)
Glycine,N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-,sodium salt (9CI)
2-[[(3Z)-3-[[3-[[Bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-(2-sulfophenyl)methyliden
Sodium;2-[[5-[(E)-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetate
CID 131675659

MDL Number

MFCD00011493

EC Number

216-553-8

Customs Code

2914.50.3000

FAQ

What regulatory guidelines apply to Sodium 2-[(E)-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(carboxymethyl)amino]methyl}-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate (CAS: 63721-83-5)?

Sodium 2-[(E)-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(carboxymethyl)amino]methyl}-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate (CAS: 63721-83-5) falls under the scope of the REACH regulation in the EU, which requires registration and evaluation of chemicals. In the US, it is regulated by the EPA for environmental protection and the FDA for safety. It should be handled according to the GHS classification, including proper labeling and storage.

Are there alternatives to Sodium 2-[(E)-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(carboxymethyl)amino]methyl}-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate (CAS: 63721-83-5) in synthesis?

There are no direct alternatives to Sodium 2-[(E)-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(carboxymethyl)amino]methyl}-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate (CAS: 63721-83-5), but similar compounds with similar functionalities can be used as substitutes, such as other sulfonates or carboxylic acid derivatives. However, these may not provide the same specific properties or reactivity.

What is the market or research trend for Sodium 2-[(E)-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(carboxymethyl)amino]methyl}-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate (CAS: 63721-83-5)?

Sodium 2-[(E)-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(carboxymethyl)amino]methyl}-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate (CAS: 63721-83-5) is currently in demand for its unique chemical structure, making it suitable for specialized applications. Research trends are focusing on its potential use in targeted drug delivery systems and advanced materials. Market trends indicate increasing interest in sustainable and biocompatible compounds.

How should waste containing Sodium 2-[(E)-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(carboxymethyl)amino]methyl}-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate (CAS: 63721-83-5) be handled?

Waste containing Sodium 2-[(E)-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(carboxymethyl)amino]methyl}-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate (CAS: 63721-83-5) should be collected in appropriate containers and handled according to the GHS guidelines. Incineration or professional waste disposal services should be utilized to ensure proper disposal. Environmental precautions include preventing leaks and ensuring containment to avoid contamination of soil and water.