structure of Benzoic acid, 4-(butylsulfonyl)-

Benzoic acid, 4-(butylsulfonyl)-

CAS No.: 100059-51-6
M. Wt: 242.29100
M. Fa: C11H14O4S
InChI Key: ZBKOZGCANJUKEY-UHFFFAOYSA-N

Names and Identifiers of Benzoic acid, 4-(butylsulfonyl)-

CAS Number

100059-51-6

IUPAC Name

4-butylsulfonylbenzoic acid

InChI

InChI=1S/C11H14O4S/c1-2-3-8-16(14,15)10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)

InChIKey

ZBKOZGCANJUKEY-UHFFFAOYSA-N

Canonical SMILES

CCCCS(=O)(=O)C1=CC=C(C=C1)C(=O)O

Physical and chemical properties of Benzoic acid, 4-(butylsulfonyl)-

Boiling Point

445.6ºC at 760mmHg

Density

1.253g/cm3

Exact Mass

242.06100

Flash Point

223.3ºC

Index of Refraction

1.537

LogP

3.03940

Molecular Formula

C11H14O4S

Molecular Weight

242.29100

PSA

79.82000

Vapour Pressure

1.01E-08mmHg at 25°C

Safety Information of Benzoic acid, 4-(butylsulfonyl)-

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of Benzoic acid, 4-(butylsulfonyl)-

4-(Butane-1-sulfonyl)benzoic acid finds various applications in both research and industrial settings:

  • Biological Research: Used as a buffering agent in cell culture media and biochemical assays.
  • Pharmaceuticals: Potentially serves as an intermediate in the synthesis of pharmaceutical compounds.
  • Chemical Synthesis: Acts as a reagent in various organic synthesis pathways.

Interaction Studies of Benzoic acid, 4-(butylsulfonyl)-

Interaction studies involving 4-(butane-1-sulfonyl)benzoic acid often focus on its role as a buffer in biological systems. Research indicates that it can interact with various biomolecules, influencing their stability and activity under varying pH conditions. Additionally, its interactions with enzymes and proteins may affect their functionality and kinetics.

Biological Activity of Benzoic acid, 4-(butylsulfonyl)-

The biological activity of 4-(butane-1-sulfonyl)benzoic acid primarily revolves around its role as a buffering agent. It helps maintain physiological pH levels in cell cultures, which is essential for cellular functions and metabolic processes. Its buffering capacity makes it beneficial in biochemical assays and experimental setups where pH stability is critical.

Retrosynthesis analysis of Benzoic acid, 4-(butylsulfonyl)-

  • Route#1

    Cas:7569-36-0
    Cas:100059-51-6
  • Route#2

    Cas:10130-89-9
    Cas:584-93-0
    Cas:100059-51-6