structure of 4-[2-Fluoro-4-(methylsulphonyl)phenoxy]aniline

4-[2-Fluoro-4-(methylsulphonyl)phenoxy]aniline

CAS No.: 1000339-83-2
M. Wt: 281.303
M. Fa: C13H12FNO3S
InChI Key: PPLWUOXLDFUNIY-UHFFFAOYSA-N

Names and Identifiers of 1000339-83-2

CAS Number

1000339-83-2

MDL Number

MFCD09750921

IUPAC Name

4-(2-fluoro-4-methylsulfonylphenoxy)aniline

InChI

InChI=1S/C13H12FNO3S/c1-19(16,17)11-6-7-13(12(14)8-11)18-10-4-2-9(15)3-5-10/h2-8H,15H2,1H3

InChIKey

PPLWUOXLDFUNIY-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 1000339-83-2

Boiling Point

450.7±45.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

281.052185

Flash Point

226.4±28.7 °C

Index of Refraction

1.591

LogP

1.63

Molecular Formula

C13H12FNO3S

Molecular Weight

281.303

Vapour Pressure

0.0±1.1 mmHg at 25°C

Safety Information of 1000339-83-2

Pictograms

Signal Word

 Warning

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

Applications of 1000339-83-2

4-[2-Fluoro-4-(methylsulphonyl)phenoxy]aniline has potential applications in:

  • Pharmaceutical Development: As a precursor for synthesizing new drugs targeting various diseases.
  • Agricultural Chemicals: It may serve as an active ingredient in agrochemicals due to its biological activity.
  • Material Science: Its unique properties could be explored in developing novel materials with specific functionalities.

Interaction Studies of 1000339-83-2

Interaction studies involving 4-[2-Fluoro-4-(methylsulphonyl)phenoxy]aniline focus on its ability to bind with various biological targets. These studies are crucial for understanding its mechanism of action and potential side effects when used therapeutically.

Research has indicated that compounds with similar structures can interact with protein kinases and other enzymes involved in cellular signaling pathways . Such interactions can lead to significant biological effects, including modulation of cell growth and differentiation.

Biological Activity of 1000339-83-2

Research indicates that compounds with similar structures to 4-[2-Fluoro-4-(methylsulphonyl)phenoxy]aniline exhibit various biological activities, including antimicrobial and anti-inflammatory properties. The fluorine substitution is known to enhance metabolic stability and bioavailability, making such compounds promising candidates for drug development.

In particular, studies have shown that derivatives of sulfonyl anilines can modulate protein kinase activity, which plays a crucial role in regulating cellular functions such as proliferation and apoptosis .