structure of 3-Chloro-4-(trifluoromethoxy)phenol

3-Chloro-4-(trifluoromethoxy)phenol

CAS No.: 1000339-94-5
M. Wt: 212.554
M. Fa: C7H4ClF3O2
InChI Key: ZDKAPCMMTRJKTR-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 3-Chloro-4-(trifluoromethoxy)phenol

CAS Number

1000339-94-5

MDL Number

MFCD04972754

IUPAC Name

3-chloro-4-(trifluoromethoxy)phenol

InChI

InChI=1S/C7H4ClF3O2/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3,12H

InChIKey

ZDKAPCMMTRJKTR-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=C(C=C1O)Cl)OC(F)(F)F

UNSPSC Code

12352100

Physical and chemical properties of 3-Chloro-4-(trifluoromethoxy)phenol

Acidity coefficient

8.39±0.18(Predicted)

Boiling Point

215.7±35.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

211.985199

Flash Point

84.3±25.9 °C

Index of Refraction

1.485

LogP

3.21

Molecular Formula

C7H4ClF3O2

Molecular Weight

212.554

PSA

29.46000

Storage condition

Inert atmosphere,Room Temperature

Vapour Pressure

0.1±0.4 mmHg at 25°C

Safety Information of 3-Chloro-4-(trifluoromethoxy)phenol

Pictograms

Signal Word

 Warning

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

Applications of 3-Chloro-4-(trifluoromethoxy)phenol

3-Chloro-4-(trifluoromethoxy)phenol finds applications in various fields:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of biologically active compounds.
  • Agrochemicals: Its antifungal and antibacterial properties make it suitable for use in crop protection products.
  • Material Science: The compound is explored for its potential in developing advanced materials due to its unique chemical properties.

Interaction Studies of 3-Chloro-4-(trifluoromethoxy)phenol

Studies on the interactions of 3-Chloro-4-(trifluoromethoxy)phenol with biological systems have shown promising results. Its mechanism of action often involves disruption of cellular membranes or interference with metabolic pathways in target organisms. Further research is ongoing to elucidate its full pharmacological profile and potential side effects.

Biological Activity of 3-Chloro-4-(trifluoromethoxy)phenol

Research indicates that 3-Chloro-4-(trifluoromethoxy)phenol exhibits notable biological activities. It has been studied for its antibacterial properties and potential as a fungicide. The trifluoromethoxy group contributes to its bioactivity by enhancing membrane permeability and stability against metabolic degradation .

Physical sample testing spectrum (NMR) of 3-Chloro-4-(trifluoromethoxy)phenol

Physical sample testing spectrum (NMR) of 3-Chloro-4-(trifluoromethoxy)phenol