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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)

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

Molecular Formula
C27H28N2NaO9S+
Molecular Weight
579.6 g/mol

Chemical Identifiers

SMILES
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+]
InChIKey
KWJIEINUUUGCEB-UHFFFAOYSA-N

Database References

FAQ

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.
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%.
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.
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.

Safety Notice

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