structure of 4-Chlorobenzenesulfinic acid

4-Chlorobenzenesulfinic acid

CAS No.: 100-03-8
M. Wt: 176.621
M. Fa: C6H5ClO2S
InChI Key: AOQYAMDZQAEDLO-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 4-Chlorobenzenesulfinic acid

CAS Number

100-03-8

EC Number

202-812-2

MDL Number

MFCD00082741

IUPAC Name

4-chlorobenzenesulfinic acid

InChI

InChI=1S/C6H5ClO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)

InChIKey

AOQYAMDZQAEDLO-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=CC=C1S(=O)O)Cl

UNII

RK78NW65EY

UNSPSC Code

12352100

Physical and chemical properties of 4-Chlorobenzenesulfinic acid

Acidity coefficient

1.14±0.10(Predicted)

Boiling Point

363.9±44.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

175.969879

Flash Point

173.9±28.4 °C

H Bond Acceptors

2

H Bond Donors

1

Index of Refraction

1.695

LogP

1.09

Melting Point

93 - 95ºC

Molecular Formula

C6H5ClO2S

Molecular Weight

176.621

PSA

56.51000

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 4-Chlorobenzenesulfinic acid

Pictograms

Signal Word

Danger

Safety Data Sheet

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

Applications of 4-Chlorobenzenesulfinic acid

4-Chlorobenzenesulfonic acid has several notable applications:

  • Intermediate in Organic Synthesis: It serves as a key building block for synthesizing dyes, pharmaceuticals, and agrochemicals.
  • Catalyst in Reactions: It can be used as a catalyst in various organic reactions due to its acidic properties.
  • Functionalization Agent: The compound is employed to functionalize surfaces and materials in polymer chemistry and nanotechnology.

Interaction Studies of 4-Chlorobenzenesulfinic acid

Interaction studies involving 4-chlorobenzenesulfonic acid focus on its reactivity with different nucleophiles and electrophiles. These studies help understand its role in various synthetic pathways and biological interactions. For instance, research has highlighted its interactions with amines leading to sulfonamide formation, which has implications for drug development and materials science.

Biological Activity of 4-Chlorobenzenesulfinic acid

Research indicates that 4-chlorobenzenesulfonic acid exhibits some biological activity, particularly as an antibacterial agent. It has been studied for its potential effects on various bacterial strains, although detailed mechanisms of action remain under investigation. Its derivatives have also shown promise in pharmaceutical applications, particularly in developing new antimicrobial agents.

Retrosynthesis analysis of 4-Chlorobenzenesulfinic acid

  • Route#1

    Cas:536-57-2
    Cas:100-03-8
  • Route#2

    Cas:14752-66-0
    Cas:100-03-8
  • Route#3

    Cas:106-47-8
    Cas:100-03-8