structure of 3-[2-Fluoro-4-(methylsulphonyl)phenoxy]benzoic acid

3-[2-Fluoro-4-(methylsulphonyl)phenoxy]benzoic acid

CAS No.: 1000339-82-1
M. Wt: 310.297
M. Fa: C14H11FO5S
InChI Key: XIWWPAYQKYCESV-UHFFFAOYSA-N

Names and Identifiers of 1000339-82-1

CAS Number

1000339-82-1

MDL Number

MFCD09750919

IUPAC Name

3-(2-fluoro-4-methylsulfonylphenoxy)benzoic acid

InChI

InChI=1S/C14H11FO5S/c1-21(18,19)11-5-6-13(12(15)8-11)20-10-4-2-3-9(7-10)14(16)17/h2-8H,1H3,(H,16,17)

InChIKey

XIWWPAYQKYCESV-UHFFFAOYSA-N

Canonical SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=CC(=C2)C(=O)O)F

UNSPSC Code

12352100

Physical and chemical properties of 1000339-82-1

Boiling Point

497.9±45.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

310.031128

Flash Point

254.9±28.7 °C

Index of Refraction

1.583

LogP

3.17

Molecular Formula

C14H11FO5S

Molecular Weight

310.297

Vapour Pressure

0.0±1.3 mmHg at 25°C

Safety Information of 1000339-82-1

Pictograms

Signal Word

 Warning

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

Applications of 1000339-82-1

The unique properties of 3-[2-Fluoro-4-(methylsulphonyl)phenoxy]benzoic acid lend it to various applications:

  • Pharmaceutical Development: It could serve as a lead compound in drug discovery efforts targeting inflammatory diseases or infections.
  • Agricultural Chemicals: Its potential antimicrobial properties may be harnessed for developing agro

Biological Activity of 1000339-82-1

3-[2-Fluoro-4-(methylsulphonyl)phenoxy]benzoic acid exhibits various biological activities. Its structural components suggest potential interactions with biological targets:

  • Anti-inflammatory Properties: Compounds with similar structures have shown promise in modulating inflammatory pathways, potentially making this compound useful in treating inflammatory diseases.
  • Antimicrobial Activity: The presence of fluorine and sulfonyl groups often contributes to enhanced antimicrobial properties against certain pathogens.
  • Enzyme Modulation: It may act as an inhibitor or modulator for specific enzymes involved in cellular signaling pathways.