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CS-W001157 4
Total: USD 88.00

1-(4-Sulfobutyl)pyridin-1-ium hydrogen sulfate

  • CAS No. 827320-61-6

  • Cat. No. CS-0528859
  • Purity≥98%
  • MDL No.MFCD30187696

*For research and further manufacturing use only, not for direct human use.

1-(4-Sulfobutyl)pyridin-1-ium hydrogen sulfate|CS-0528859

Structure of 827320-61-6

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General Information

  • CAS No. 827320-61-6
  • Cat. No. CS-0528859
  • Purity ≥98%
  • MDL No. MFCD30187696
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₅NO₇S₂
  • Molecular Weight None
  • Synonym(s) N-butylsulfonic pyridinium hydrogensulfate
  • SMILES O=S([O-])(O)=O.O=S(O)(CCCC[N+]1=CC=CC=C1)=O

Description

This water-soluble pyridinium salt features a sulfobutyl chain that imparts strong hydrophilicity and enhanced solubility in aqueous systems. The charged pyridinium core enables effective ion pairing and electrostatic interactions, making it valuable in surfactant design, catalysis, and phase-transfer applications.

Application

1-(4-Sulfobutyl)pyridin-1-ium hydrogen sulfate serves as a versatile water-soluble quaternary ammonium salt, enabling efficient phase-transfer catalysis and enhancing solubility in polar reaction media. Its robust sulfonate group ensures high hydrophilicity and stability under physiological conditions, facilitating applications in asymmetric synthesis and functionalization of heterocyclic scaffolds. The compound exhibits excellent compatibility with diverse functional groups and simplifies purification through its ionic character, making it well-suited for bench-scale and process-oriented transformations.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314-H318
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   135.68
  • LogP   -0.3533
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   5

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