structure of 2-(4-Methyl-3-(trifluoromethyl)phenyl)acetic acid

2-(4-Methyl-3-(trifluoromethyl)phenyl)acetic acid

CAS No.: 1000544-72-8
M. Wt: 218.173
M. Fa: C10H9F3O2
InChI Key: GDCOLUWREQNZSM-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000544-72-8

CAS Number

1000544-72-8

MDL Number

MFCD09832293

IUPAC Name

2-[4-methyl-3-(trifluoromethyl)phenyl]acetic acid

InChI

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

InChIKey

GDCOLUWREQNZSM-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=C(C=C1)CC(=O)O)C(F)(F)F

UNSPSC Code

12352100

Physical and chemical properties of 1000544-72-8

Acidity coefficient

4.24±0.10(Predicted)

Boiling Point

266.7±35.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

218.055466

Flash Point

115.1±25.9 °C

Index of Refraction

1.478

LogP

2.54

Melting Point

72-75°

Molecular Formula

C10H9F3O2

Molecular Weight

218.173

PSA

37.30000

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 1000544-72-8

Pictograms

Signal Word

 Warning

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

Applications of 1000544-72-8

2-(4-Methyl-3-(trifluoromethyl)phenyl)acetic acid has potential applications in various fields:

  • Pharmaceuticals: Its structural characteristics may lend it utility as an intermediate in drug synthesis or as an active pharmaceutical ingredient.
  • Agrochemicals: The compound may also find applications in the development of herbicides or pesticides due to its potential biological activity.
  • Material Science: Its unique properties could be explored in creating advanced materials or coatings.

Interaction Studies of 1000544-72-8

Interaction studies involving this compound are crucial for understanding its potential effects in biological systems. Investigations into how it interacts with enzymes or receptors can provide insights into its pharmacological profile. Similar compounds often undergo studies assessing their binding affinities and mechanisms of action, which would be beneficial for this compound as well.

Physical sample testing spectrum (NMR) of 1000544-72-8

Physical sample testing spectrum (NMR) of 1000544-72-8