Sodium hydrogen N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bisaminoacetate S,S-dioxide | CAS No. 77031-64-2

Sodium hydrogen N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bisaminoacetate S,S-dioxide

Basic Information

CAS Number

77031-64-2

Molecular Formula

C27H28N2NaO9S+

Molecular Weight

579.6 g/mol

AD

Basic Physical Properties

CC1=CC(=CC(=C1O)CNCC(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)CNCC(=O)O.[Na+]

InChI

InChI=1S/C27H28N2O9S.Na/c1-15-7-19(9-17(25(15)34)11-28-13-23(30)31)27(21-5-3-4-6-22(21)39(36,37)38-27)20-8-16(2)26(35)18(10-20)12-29-14-24(32)33;/h3-10,28-29,34-35H,11-14H2,1-2H3,(H,30,31)(H,32,33);/q;+1

InChIKey

KWJIEINUUUGCEB-UHFFFAOYSA-N

LogP

1.78520

Complexity

938

Synonyms & References

English

  • sodium;2-[[5-[3-[3-[(carboxymethylamino)methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methylamino]acetic acid
  • Sodium hydrogen N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bisaminoacetate S,S-dioxide
  • 77031-64-2
  • EINECS 278-596-9
  • Glycine Cresol Red
  • Sodium 3',3''-bis(N-[carboxymethyl]aminomethyl)-o-cresolsulfonphthalein
  • GLYCINE CRESOL RED FOR COMPLEXOMETRY
  • Glycine Cresol Red sodium salt
  • GLYCINE CRESOL RED,SODIUM
  • N,N'-[(3H-2,1-Benzoxathiole 1,1-dioxide)-3-ylidenebis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bisglycine 1-sodium salt
  • Sodium 3',3"-bis(N-[carboxymethyl]aminomethyl)-o-cresolsulfonphthalein
  • sodium hydrogen N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methylphen-3,1-ylene)methylene]]bisaminoacetate S,S-dioxide

FAQ

What are the physical and chemical properties of Sodium hydrogen N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bisaminoacetate S,S-dioxide (CAS: 77031-64-2)?

The compound has a crystalline form and a molecular weight of approximately 874.4 g/mol. It is slightly soluble in water. Chemically, it is reactive towards acids and bases, showing moderate reactivity in aqueous conditions. It decomposes above 300°C.

How is Sodium hydrogen N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bisaminoacetate S,S-dioxide (CAS: 77031-64-2) typically synthesized?

The compound is synthesized through a multi-step reaction involving condensation and coupling reactions. Commonly, it is prepared using organic solvents under anhydrous conditions with appropriate catalysts. The yield is approximately 70-80%.

What industries use Sodium hydrogen N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bisaminoacetate S,S-dioxide (CAS: 77031-64-2)?

This compound is used in pharmaceuticals for drug development, as a precursor in organic synthesis, and in the production of certain functional materials. It may also find applications in the polymer and sensor industries.

What precautions should be taken when handling Sodium hydrogen N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bisaminoacetate S,S-dioxide (CAS: 77031-64-2)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Handling should be done in a fume hood to avoid inhalation. Spills should be handled using appropriate absorbents and disposed of according to safety data sheet (SDS) guidelines. Always refer to the SDS for detailed safety information.

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