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CAS 18462-64-1

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1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1)

Description:
1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1), commonly referred to by its CAS number 18462-64-1, is a complex organic compound characterized by its benzimidazolium structure, which features a positively charged nitrogen atom in a five-membered ring. This compound exhibits notable properties such as solubility in polar solvents, which is influenced by the presence of sulfonate groups that enhance its ionic character. The dichloro substituents contribute to its reactivity and potential applications in various chemical reactions, including catalysis. The presence of ethyl and sulfobutyl groups suggests that it may have surfactant properties, making it useful in formulations requiring emulsification or stabilization. Additionally, the compound's inner salt form indicates that it can exist in a stable ionic state, which is significant for its behavior in biological and chemical systems. Overall, this compound's unique structure and functional groups position it as a versatile agent in both synthetic and applied chemistry contexts.
Formula:C29H34Cl4N4O6S2·Na
InChI:InChI=1S/C29H34Cl4N4O6S2.Na/c1-3-34-24-16-20(30)22(32)18-26(24)36(12-5-7-14-44(38,39)40)28(34)10-9-11-29-35(4-2)25-17-21(31)23(33)19-27(25)37(29)13-6-8-15-45(41,42)43;/h9-11,16-19H,3-8,12-15H2,1-2H3,(H-,38,39,40,41,42,43);
InChI key:InChIKey=DIKVOGPSCUQVOW-UHFFFAOYSA-N
SMILES:C(CCCS(=O)(=O)O)N1C=2C(N(CC)C1=CC=CC3=[N+](CCCCS(=O)(=O)[O-])C=4C(N3CC)=CC(Cl)=C(Cl)C4)=CC(Cl)=C(Cl)C2.[Na]
Synonyms:
  • 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1)
  • 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt
  • 1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(4-sulfobutyl)-, hydroxide, inner salt, sodium salt
  • 5,5′,6,6′-Tetrachloro-1,1′-diethyl-3,3′-bis(4-sulfobutyl)benzimidazolocarbocyanine sodium salt
  • Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)-2-benzimidazolinylidene]propenyl]-1-ethyl-3-(4-sulfobutyl)-, hydroxide, inner salt, sodium salt
  • S 0046
  • sodium 4-[(2E)-5,6-dichloro-2-{(2E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)-1H-3,1-benzimidazol-3-ium-2-yl]prop-2-en-1-ylidene}-3-ethyl-2,3-dihydro-1H-benzimidazol-1-yl]butane-1-sulfonate
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