Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate

Basic Information

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CAS Number

3618-43-7

Molecular Formula

C31H29N2Na3O13S

Molecular Weight

738.61 g/mol

EINECS

222-805-8

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

195 °C (dec.)

Boiling Point

904.1°C at 760 mmHg

Water Solubility

510 g/L (20 ºC)

Flash Point

93.3°C

Solubility

510g/l

Odor

无味

SMILES

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Cc1cc(cc(c1O)CN(CC(=O)O)CC(=O)O[Na])C2(c3ccccc3OS2(=O)=O)c4cc(c(c(c4)CN(CC(=O)O[Na])CC(=O)O[Na])O)C

InChI

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

InChIKey

GAAUERADCKMDLZ-UHFFFAOYSA-K

LogP

0.29744000000000065

Topological Polar Surface Area

206.50999999999996 Å²

Hydrogen Bond Donor/Acceptor

3 / 15

Complexity

1150

Safety Information

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Stability

稳定，但可能对水分敏感。

Sensitiveness

对湿度敏感

Synonyms & References

English

Xylenol Orange, sodium salt,pure,water soluble
Tetrasodium N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methylphen-3,1-ylene)methylene]]bis[N-(carboxylat
Xylenol Orange, sodiuM salt, water soluble, pure 10GR
Xylenol Orange, sodiuM salt, water soluble, pure 1GR
Xylenol Orange, sodiuM salt, water soluble, pure 5GR
Xylenol orange, sodiuM salt, ACS reagent
XYLENOL ORANGE TETRASODIUM SALT METAL IN
Xylenol Orange tetrasodiuM salt, indicator
tetrasodium N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methylphen-3,1-ylene)methylene]]bis[N-(carboxylatomethyl)aminoacetate] S,S-dioxide
Xylenol Orange tetrasodium salt
XYLENOL ORANGE INDICATOR ( SODIUM SALT, WATER SOLUBLE) FOR METAL TITRATION
3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolsulfonephthalein tetrasodium salt
IND
Xylenol orange
Xylenol Orange, sodiuM salt, pure, water soluble
Xylenol Orange, sodium salt, water soluble, pure
Tetrasodium N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methylphen-3,1-ylene)methylene]]bis[N-(carboxylat
Tetrasodium N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methylphen-3,1-ylene)methylene]]bis[N-(carboxylatomethyl)aminoacetate] S,S-dioxide
Xylenol orange tetrasodium salt, IND

MDL Number

MFCD00044293

EC Number

222-805-8

Customs Code

29349990

FAQ

What is Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate (CAS: 3618-43-7)?

Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate is a complex organic compound with a distinctive molecular structure. It consists of trisodium ions, a benzoxathiol derivative, and two acetate groups. This compound is characterized by its hydrophobic and hydrophilic properties, making it useful in various applications.

What are the main uses of Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate (CAS: 3618-43-7)?

Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate is primarily used in pharmaceuticals for drug development, research, and formulation. Its unique chemical properties make it suitable for applications in analytical chemistry and as a reagent in the synthesis of other compounds.

Is Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate (CAS: 3618-43-7) safe?

Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate is generally safe when handled with appropriate precautions. Users should avoid contact with eyes and skin, and wear appropriate personal protective equipment. Storage and disposal should follow standard chemical safety guidelines to minimize environmental and health risks.

How should Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate (CAS: 3618-43-7) be stored?

Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container and stored at room temperature (15-25°C) to maintain its stability. Avoid exposure to moisture and maintain good ventilation to prevent degradation.