structure of 2-METHYL-5-(TRIFLUOROMETHYL)PHENYLACETIC ACID

2-METHYL-5-(TRIFLUOROMETHYL)PHENYLACETIC ACID

CAS No.: 1000517-01-0
M. Wt: 218.173
M. Fa: C10H9F3O2
InChI Key: JUHQANJHRWBIKL-UHFFFAOYSA-N

Names and Identifiers of 1000517-01-0

CAS Number

1000517-01-0

MDL Number

MFCD09832286

IUPAC Name

2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid

InChI

InChI=1S/C10H9F3O2/c1-6-2-3-8(10(11,12)13)4-7(6)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)

InChIKey

JUHQANJHRWBIKL-UHFFFAOYSA-N

Canonical SMILES

CC1=CC=C(C(F)(F)F)C=C1CC(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000517-01-0

Boiling Point

273.1±35.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

218.055466

Flash Point

119.0±25.9 °C

Index of Refraction

1.478

LogP

2.54

Molecular Formula

C10H9F3O2

Molecular Weight

218.173

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 1000517-01-0

Pictograms

Signal Word

 Warning

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

Applications of 1000517-01-0

2-Methyl-5-(trifluoromethyl)phenylacetic acid has several applications across various fields:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of bioactive compounds and drugs due to its pharmacological properties.
  • Agricultural Chemicals: Its unique properties make it suitable for developing agrochemicals that require specific biological activity.
  • Research: Used as a reagent in organic synthesis and medicinal chemistry for exploring structure-activity relationships.

Interaction Studies of 1000517-01-0

Interaction studies involving 2-Methyl-5-(trifluoromethyl)phenylacetic acid focus on its binding affinity to various biological targets. Preliminary studies suggest that it may interact with enzymes involved in inflammatory pathways, which could explain its observed biological effects. Further research is necessary to elucidate these interactions at the molecular level.

Biological Activity of 1000517-01-0

Research indicates that 2-Methyl-5-(trifluoromethyl)phenylacetic acid exhibits significant biological activity, particularly in pharmacological contexts. Its structural features allow it to interact with biological targets effectively, making it a candidate for drug development. Studies have shown potential anti-inflammatory and analgesic properties, although specific mechanisms of action are still under investigation.