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Disodium 3-[(ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}(4-sulfonatophenyl)methylene]-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate(CAS: 5141-20-8)

Disodium 3-[(ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}(4-sulfonatophenyl)methylene]-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate
CAS Number

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Basic Information

Molecular Formula
C37H34N2Na2O9S3
Molecular Weight
792.9 g/mol

Physical Properties

Melting Point
288 °C (dec.) (lit.)

Chemical Identifiers

SMILES
CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]
InChIKey
DGOBMKYRQHEFGQ-UHFFFAOYSA-L

Database References

MDL Number
MFCD00012121
Beilstein Registry Number
5717828

FAQ

Disodium 3-[(ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}(4-sulfonatophenyl)methylene]-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate is a crystalline compound with a molecular weight of approximately 990.6 g/mol. It has high solubility in water and organic solvents. It exhibits low reactivity under normal conditions but may undergo hydrolysis in the presence of moisture. It is used in various applications due to its unique chemical structure.
Disodium 3-[(ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}(4-sulfonatophenyl)methylene]-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate is synthesized via multistep organic synthesis involving coupling reactions, sulfonation, and condensation. The process requires careful control of reaction conditions to achieve high yield and selectivity. Commonly used catalysts include Lewis acids and transition metal complexes.
Disodium 3-[(ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}(4-sulfonatophenyl)methylene]-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate is used in the pharmaceuticals industry for its potential in drug development, particularly in organic chemistry involving cyclohexadiene compounds. It is also explored in the polymer industry for its chemical functionality and reactivity.
When handling Disodium 3-[(ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}(4-sulfonatophenyl)methylene]-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate, it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a fume hood to avoid exposure to vapors. Spills should be cleaned up with appropriate absorbent materials and proper disposal as per safety data sheet (SDS) guidelines. Always refer to the SDS for detailed handling instructions.

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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