3-[(trifluoromethyl)sulfanyl]benzoate

3-[(trifluoromethyl)sulfanyl]benzoate - Names and Identifiers

Name	3-(trifluoromethylthio)benzoic acid
Synonyms	RARECHEM AL BO 0859 3-(trifluoromethylthio)benzoic acid 3-(TRIFLUOROMETHYLTHIO)BENZOIC ACID 3-[(trifluoromethyl)sulfanyl]benzoate 3-TRIFLUOROMETHYLSULFANYL-BENZOIC ACID 3-[(Trifluoromethyl)sulphanyl]benzoic acid 3-(Trifluoromethylthio)benzoic acid,m-(Trifluoromethylthio)benzoic acid 3-[(Trifluoromethyl)sulphanyl]benzoic acid, 3-Carboxyphenyl trifluoromethyl sulphide
CAS	946-65-6
InChI	InChI=1/C8H5F3O2S/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)/p-1

3-[(trifluoromethyl)sulfanyl]benzoate - Physico-chemical Properties

Molecular Formula	C8H5F3O2S
Molar Mass	222.18
Density	1.50±0.1 g/cm3(Predicted)
Melting Point	71-74 °C (lit.)
Boling Point	229.5±40.0 °C(Predicted)
Flash Point	92.6°C
Vapor Presure	0.039mmHg at 25°C
pKa	3.80±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Sensitive	Stench
MDL	MFCD00236337

3-[(trifluoromethyl)sulfanyl]benzoate - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
WGK Germany	3
Hazard Note	Irritant/Stench

3-[(trifluoromethyl)sulfanyl]benzoate - Introduction

3-(trifluoromethylthio)benzoic acid, the chemical formula is C8H5F3O2S, is an organic compound. Its properties are as follows:

1. Appearance: 3-(trifluoromethylthio)benzoic acid is a colorless crystalline solid.
2. solubility: it is soluble in organic solvents, such as ethanol, dioxane and chloroform, insoluble in water.
3. melting point: its melting point is about 69-72 ℃.
4. Stability: It is stable at room temperature, but may decompose at high temperature.

3-(trifluoromethylthio)benzoic acid use:

1. Pesticide intermediate: It can be used as an intermediate for the synthesis of certain pesticides.
2. Pharmaceutical field: It can be used to prepare drugs and has antibacterial and anti-inflammatory effects.
3. Chemical synthesis: It is widely used in organic synthesis reactions, for example, as a protecting group for aromatic compounds.

Preparation Method:

3-(trifluoromethylthio)benzoic acid is prepared by many methods, a common method is synthesized by the reaction of benzoic acid and trifluoromethanethiol, the reaction conditions can be used in the presence of a solvent catalyst, at room temperature.

Safety Information:

3-(trifluoromethylthio)benzoic acid is considered relatively safe under general conditions, the following matters still need to be paid attention:

1. Contact: Avoid direct contact with the compound and wear appropriate protective gloves and goggles.
2 inhalation: avoid inhalation of dust or steam, should be used in a well-ventilated place.
3. fire extinguishing: in the event of a fire, appropriate extinguishing agents should be used to extinguish the fire, such as dry powder, carbon dioxide, etc.

Note: The above information is for reference only. For specific use and operation, please refer to relevant safety materials and follow the correct experimental operation specifications.

Last Update：2024-04-09 21:21:28