structure of 2-Methoxy-5-(trifluoromethyl)phenylacetonitrile

2-Methoxy-5-(trifluoromethyl)phenylacetonitrile

CAS No.: 1000542-90-4
M. Wt: 215.17
M. Fa: C10H8F3NO
InChI Key: XGILINGTRFYWBV-UHFFFAOYSA-N

Names and Identifiers of 1000542-90-4

CAS Number

1000542-90-4

MDL Number

MFCD09832243

IUPAC Name

2-[2-methoxy-5-(trifluoromethyl)phenyl]acetonitrile

InChI

InChI=1S/C10H8F3NO/c1-15-9-3-2-8(10(11,12)13)6-7(9)4-5-14/h2-3,6H,4H2,1H3

InChIKey

XGILINGTRFYWBV-UHFFFAOYSA-N

Canonical SMILES

COC1=C(C=C(C=C1)C(F)(F)F)CC#N

UNSPSC Code

12352100

Physical and chemical properties of 1000542-90-4

Molecular Formula

C10H8F3NO

Molecular Weight

215.17

Safety Information of 1000542-90-4

Pictograms

Signal Word

 Warning

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

Applications of 1000542-90-4

2-Methoxy-5-(trifluoromethyl)phenylacetonitrile has several applications:

  • Pharmaceuticals: Its unique structure makes it a candidate for drug development, particularly in creating compounds that target specific enzymes.
  • Agrochemicals: The compound may be utilized in developing herbicides or pesticides due to its biological activity.
  • Material Science: Its properties may lend themselves to applications in polymer chemistry or as intermediates in synthetic pathways.

Interaction Studies of 1000542-90-4

Interaction studies have indicated that 2-Methoxy-5-(trifluoromethyl)phenylacetonitrile can bind to various biological macromolecules, affecting their function. While specific data on protein-ligand interactions are sparse, the compound's lipophilicity suggests it may interact favorably with membrane-bound proteins and enzymes. Further research is needed to elucidate these interactions and their implications for biological activity.