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CAS 53213-82-4

:

Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)

Description:
Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1), identified by CAS number 53213-82-4, is a complex organic compound characterized by its benzoxazole core, which is a fused bicyclic structure containing both benzene and oxazole rings. This compound features a hexyl substituent, contributing to its hydrophobic properties and potentially influencing its solubility and interaction with biological systems. The presence of the iodide ion indicates that it is a salt, which may enhance its stability and solubility in polar solvents. Benzoxazolium derivatives are often studied for their photophysical properties, making them of interest in applications such as organic electronics, fluorescent probes, and dye-sensitized solar cells. The structural features suggest potential applications in materials science and medicinal chemistry, particularly in the development of fluorescent markers or sensors. Overall, the unique combination of its structural elements may lead to interesting chemical behavior and applications in various fields.
Formula:C29H37N2O2·I
InChI:InChI=1S/C29H37N2O2.HI/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29;/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3;1H/q+1;/p-1
InChI key:InChIKey=XVLXYDXJEKLXHN-UHFFFAOYSA-M
SMILES:C(CCCCC)N1C=2C(OC1=CC=CC3=[N+](CCCCCC)C=4C(O3)=CC=CC4)=CC=CC2.[I-]
Synonyms:
  • 3,3′-Dihexyloxacarbocyanine iodide
  • 3-Hexyl-2-(3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propenyl)benzoxazolium
  • 3-Hexyl-2-(3-(3-hexylbenzo[d]oxazol-2(3H)-ylidene)prop-1-en-1-yl)-3H-benzo[d]oxazol-1-ium iodide
  • Benzoxazolium, 3-hexyl-2-(3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propenyl)-
  • Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)
  • Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propenyl]-, iodide
  • D 273
  • DiOC<sub>6</sub>(3)
  • Dioc6
  • Nk 2280
  • See more synonyms
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