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2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benz[e]indolium 4-Methylbenzenesulfonate(CAS: 134127-48-3)

2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benz[e]indolium 4-Methylbenzenesulfonate
CAS Number

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Basic Information

Molecular Formula
C47H47ClN2O3S
Molecular Weight
755.41 g/mol

Chemical Identifiers

SMILES
CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=C(C(=CC=C5C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)CCC4)Cl)C
InChIKey
LQVQHHTYXSPHSQ-UHFFFAOYSA-M

Database References

MDL Number
MFCD03093252

FAQ

This compound is a crystalline solid with a molecular weight of approximately 892.1 g/mol. It is poorly soluble in water but soluble in organic solvents such as dichloromethane and acetonitrile. The compound has moderate reactivity, particularly towards nucleophiles. It is a derivative of a heterocyclic compound and exhibits unique electronic properties due to its complex molecular structure.
This compound is typically synthesized via a multistep process involving the condensation of 2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene with 2-cyclohexenone followed by coupling with 2-chloro-3-(2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl vinyl ether. The final step involves the formation of the 4-methylbenzenesulfonate derivative, which is purified through recrystallization.
This compound is primarily used in the pharmaceutical industry for its potential as a medicinal agent. It is also explored in the polymer industry for its electronic properties and in the development of sensors due to its unique chemical structure and reactivity.
When handling this compound, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be cleaned up using appropriate solvents and handling procedures, and the material safety data sheet (MSDS) should be referenced for specific guidelines. Proper disposal of the compound should follow local regulations.

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

Mr. Zhai

Email

xiangyang.zhai@jk-sci.com

Mobile

18210857532

Address

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