structure of 2-Methyl-3-(trifluoromethyl)phenylacetic acid

2-Methyl-3-(trifluoromethyl)phenylacetic acid

CAS No.: 1000546-18-8
M. Wt: 218.173
M. Fa: C10H9F3O2
InChI Key: FQVYJURFBWJJPW-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000546-18-8

CAS Number

1000546-18-8

MDL Number

MFCD09832279

IUPAC Name

2-[2-methyl-3-(trifluoromethyl)phenyl]acetic acid

InChI

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

InChIKey

FQVYJURFBWJJPW-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=CC=C1C(F)(F)F)CC(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000546-18-8

Boiling Point

269.2±35.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

218.055466

Flash Point

116.6±25.9 °C

Index of Refraction

1.478

LogP

2.54

Melting Point

105-108℃

Molecular Formula

C10H9F3O2

Molecular Weight

218.173

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 1000546-18-8

Pictograms

Signal Word

 Warning

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

Applications of 1000546-18-8

The applications of 2-Methyl-3-(trifluoromethyl)phenylacetic acid are diverse:

  • Pharmaceuticals: Used as an intermediate in the synthesis of various therapeutic agents.
  • Agricultural Chemicals: Potentially useful in developing agrochemicals due to its unique properties.
  • Research Tool: Employed in studies investigating the structure-activity relationship of phenylacetic acids.

Interaction Studies of 1000546-18-8

Interaction studies have shown that 2-Methyl-3-(trifluoromethyl)phenylacetic acid can bind to specific receptors or enzymes, influencing biological pathways. For instance, its interactions with neurotransmitter systems may contribute to its pharmacological effects, although detailed mechanisms remain an area of active research.

Biological Activity of 1000546-18-8

Research indicates that 2-Methyl-3-(trifluoromethyl)phenylacetic acid exhibits notable biological activities. It has been studied for its potential effects on the central nervous system and may have applications in treating conditions such as obesity and anxiety disorders. Its structural similarity to other bioactive compounds suggests that it could interact with various biological targets, although specific mechanisms are still under investigation.