Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt(CAS: 116-95-0)
methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt](https://static.chemtradehub.com/structs/116/116-95-0-1170.webp)
CAS Number
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Basic Information
Molecular Formula
C27H32N2O6S2
Molecular Weight
544.7 g/mol
Physical Properties
Melting Point
Not available
Boiling Point
°Cat760mmHg
Flash Point
°C
Chemical Identifiers
SMILES
CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)[O-]
InChIKey
IKHKJYWPWWBSFZ-UHFFFAOYSA-N
Database References
MDL Number
MFCD00012119
FAQ
The compound is subject to regulation under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous properties, REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the European Union, and FDA (Food and Drug Administration) or EPA (Environmental Protection Agency) regulations for use in pharmaceuticals or environmental applications. Specific requirements include hazard communication, classification, and labeling according to the GHS, and registration and reporting under REACH.
Synthesis alternatives may include using related compounds such as N-ethyl-4-(2,4-disulfophenyl)-4-(2-hydroxy-5-(diethylamino)phenyl)-2,5-cyclohexadien-1-ylideneethanaminium or similar heterocyclic compounds. Other alternatives could involve using different reagents like diethylamine or sulfonic acids for similar functional groups, but these would need to be evaluated for compatibility and efficiency in the specific synthetic process.
Market trends for this compound indicate growing interest in specialized pharmaceutical and chemical applications, particularly in areas requiring precise molecular targeting. Research trends focus on the compound's potential in drug discovery and development, with a focus on its unique chemical structure and properties. Economic trends show increasing demand due to its use in advanced research and development, though pricing remains niche and dependent on supply and demand dynamics in specialized markets.
Waste containing this compound should be collected in appropriate containers and stored under controlled conditions to prevent degradation or environmental release. Disposal should be conducted by a licensed professional hazardous waste handler, following proper incineration or chemical treatment methods as per regulatory requirements. Precautions include ensuring containment, minimizing exposure, and adhering to local and national waste disposal regulations to protect human health and the environment.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
Contact Person
Li Xiaoli

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