structure of 2-Methoxy-3-(trifluoromethyl)benzaldehyde

2-Methoxy-3-(trifluoromethyl)benzaldehyde

CAS No.: 1000339-54-7
M. Wt: 204.146
M. Fa: C9H7F3O2
InChI Key: XBRULUWQNDWLMN-UHFFFAOYSA-N
Appearance: Liquid

Names and Identifiers of 1000339-54-7

CAS Number

1000339-54-7

MDL Number

MFCD08741399

IUPAC Name

2-methoxy-3-(trifluoromethyl)benzaldehyde

InChI

InChI=1S/C9H7F3O2/c1-14-8-6(5-13)3-2-4-7(8)9(10,11)12/h2-5H,1H3

InChIKey

XBRULUWQNDWLMN-UHFFFAOYSA-N

Canonical SMILES

COC1=C(C=CC=C1C(F)(F)F)C=O

UNSPSC Code

12352100

Physical and chemical properties of 1000339-54-7

Boiling Point

243.8±40.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

204.039810

Flash Point

98.4±22.2 °C

Index of Refraction

1.475

LogP

3.01

Molecular Formula

C9H7F3O2

Molecular Weight

204.146

PSA

26.30000

Storage condition

2-8°C

Vapour Pressure

0.0±0.5 mmHg at 25°C

Safety Information of 1000339-54-7

Pictograms

Signal Word

 Warning

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

Applications of 1000339-54-7

The applications of 2-Methoxy-3-(trifluoromethyl)benzaldehyde span various fields:

  • Pharmaceutical Industry: Its unique structure makes it a candidate for drug development, particularly in creating novel antimicrobial agents.
  • Material Science: The compound can serve as an intermediate in the synthesis of advanced materials, including organic light-emitting diodes (OLEDs).
  • Chemical Research: It is utilized as a building block in organic synthesis for developing more complex molecules.

Interaction Studies of 1000339-54-7

Interaction studies have shown that 2-Methoxy-3-(trifluoromethyl)benzaldehyde can engage with several biological targets:

  • Enzymatic Interactions: It has been observed to affect enzyme activity, which may lead to alterations in metabolic pathways.
  • Protein Binding Studies: Research indicates potential binding affinity to specific proteins, suggesting its role as a modulator in biochemical processes.

Biological Activity of 1000339-54-7

Research indicates that 2-Methoxy-3-(trifluoromethyl)benzaldehyde exhibits promising biological activities, including:

  • Antimicrobial Properties: Preliminary studies suggest that this compound may possess antimicrobial effects against various bacterial strains.
  • Antioxidant Activity: Its structure allows for potential antioxidant properties, which are beneficial in combating oxidative stress in biological systems.
  • Enzyme Interaction: The compound has been noted to interact with certain enzymes, influencing biochemical pathways.