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Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate)(CAS: 569-58-4)

Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate)
CAS Number

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Basic Information

Molecular Formula
C22H23N3O9
Molecular Weight
473.4 g/mol

Physical Properties

Melting Point
220-225 °C (dec.) (lit.)
Boiling Point
573.92°C (rough estimate)
Water Solubility
800 g/L (20 ºC)

Chemical Identifiers

SMILES
C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O.N.N.N
InChIKey
AIPNSHNRCQOTRI-UHFFFAOYSA-N

Database References

MDL Number
MFCD00040925
Beilstein Registry Number
3900820

FAQ

Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate) (CAS: 569-58-4) is a complex organic compound containing a coumarin-based bridging group and two 6-hydroxybenzoate moieties. Its triammonium structure suggests it functions as a salt, with potential applications in pharmaceuticals and materials science. The compound exhibits stability under standard conditions but requires careful handling due to its reactive functional groups.
This compound is primarily used in pharmaceutical research as a potential photosensitizer for photodynamic therapy. It may also serve as an intermediate in the synthesis of organic dyes or functional materials. Applications in industrial and agricultural sectors are limited, but its unique structure makes it valuable for studying molecular interactions and chemical reactivity in laboratory settings.
Safety of Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate) (CAS: 569-58-4) depends on exposure conditions. Limited toxicity data exists, but it is advisable to handle with gloves and eye protection to avoid skin contact or inhalation. Adherence to standard chemical safety protocols and OSHA guidelines is recommended for safe use in research or industrial environments.
Store Triammonium 3,3'-[(3-carboxylato-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis(6-hydroxybenzoate) (CAS: 569-58-4) in a cool, dry, and dark place, ideally at 25°C with low humidity. Use airtight containers to prevent moisture exposure, and keep it away from incompatible substances. Ensure proper labeling and follow guidelines for chemical storage to maintain stability and safety.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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