239080-04-7

239080-04-7 - Names and Identifiers

Name	3-(Trifluoromethylthio)phenylacetic acid
Synonyms	239080-04-7 QV1R CSXFFF 3-(Trifluoromethylthio)phenylacetic acid 3-[(Trifluoromethyl)thio]benzeneacetic acid 2-[3-(trifluoromethylthio)phenyl]acetic acid Benzeneacetic acid, 3-[(trifluoromethyl)thio]- {3-[(trifluoromethyl)sulfanyl]phenyl}acetic acid 2-[3-(trifluoromethylsulfanyl)phenyl]acetic acid {3-[(Trifluoromethyl)sulphanyl]phenyl}acetic acid 3-[(Trifluoromethyl)sulphanyl]phenylacetic acid, 3-(Carboxymethyl)phenyl trifluoromethyl sulphide
CAS	239080-04-7
InChI	InChI=1/C9H7F3O2S/c10-9(11,12)15-7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)

239080-04-7 - Physico-chemical Properties

Molecular Formula	C9H7F3O2S
Molar Mass	236.21
Density	1.44±0.1 g/cm3(Predicted)
Boling Point	249.3±40.0 °C(Predicted)
Flash Point	104.6°C
Vapor Presure	0.0122mmHg at 25°C
pKa	4.13±0.10(Predicted)
Refractive Index	1.531

239080-04-7 - Introduction

3-(Trifluoromethylthio)phenylacetic acid is an organic compound with the chemical formula C9H7F3O2S. The following is a detailed description of its nature, use, formulation and safety information:

Nature:
-Appearance: 3-(Trifluoromethylthio)phenylacetic acid is white or light yellow solid.
-Solubility: Soluble in common organic solvents, such as ethanol, dimethyl sulfoxide and dichloromethane.
-Melting point: Its melting point is 60-62°C.
-Chemical properties: It is an acidic compound that can dissociate in water to generate the corresponding anionic form.

Use:
3-(Trifluoromethylthio)phenylacetic acid is commonly used as an optical, pharmaceutical, pesticide and pharmaceutical intermediate. It can be used to synthesize organic compounds with biological activity, such as antibacterial agents, anti-tumor drugs and pesticides.

Method:
3-(Trifluoromethylthio)phenylacetic acid is generally synthesized by the following steps:
1.3-nitrobenzene and sulfuryl chloride are reacted to obtain 3-nitrobenzene sulfuryl chloride.
2.3-nitrophenylthionyl chloride is reacted with trifluoromethyl mercaptan to obtain 3-(trifluoromethylthio) phenylthionyl chloride.
3. Finally, 3-(Trifluoromethylthio) phenylthionyl chloride is reacted with acetic acid to obtain the target product 3-(Trifluoromethylthio)phenylacetic acid.

Safety Information:
Note the following when using and handling 3-(Trifluoromethylthio)phenylacetic acid:
-Need to operate in a well-ventilated place to avoid breathing steam or dust.
-Wear appropriate protective equipment such as gloves, goggles and protective masks.
-Avoid direct contact with skin and eyes, such as accidental contact, should immediately rinse with water, if necessary, seek medical help.
-Avoid reaction with oxidants and strong acids, as hazardous substances may be produced or dangerous accidents may occur.
-Avoid contact with combustibles during storage and use to prevent fire and explosion.

Last Update：2024-04-09 21:00:56