4-[(Trifluoromethyl)-mercapto]-benzoic acid

4-[(Trifluoromethyl)-mercapto]-benzoic acid - Names and Identifiers

Name	4-[(Trifluoromethyl)-mercapto]-benzoic acid
Synonyms	RARECHEM AL BO 0420 4-trifluomethylthio-benzoic acid 4-trifluoromethylthiobenzoic acid -(TRIFLUOROMETHYLTHIO)BENZOIC ACID 4-(Trifluoromethylthio)benzoic acid p-(Trifluoromethylthio)benzoic acid 4-(TRIFLUOROMETHYLTHIO)BENZOIC ACID 4-[(trifluoromethyl)sulfanyl]benzoate 4-TRIFLUOROMETHYLSULFANYL-BENZOIC ACID 4-[(trifluoromethyl)sulfanyl]benzoic acid 4-[(Trifluoromethyl)-mercapto]-benzoic acid {4-[(trifluoromethyl)sulfanyl]phenyl}methanol
CAS	330-17-6
EINECS	625-833-2
InChI	InChI=1/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)/p-1
InChIKey	UMOGQQWVQUQTQA-UHFFFAOYSA-N

4-[(Trifluoromethyl)-mercapto]-benzoic acid - Physico-chemical Properties

Molecular Formula	C8H5F3O2S
Molar Mass	222.18
Density	1.50±0.1 g/cm3(Predicted)
Melting Point	159.5-162.5°C(lit.)
Boling Point	227.6±40.0 °C(Predicted)
Flash Point	91.4°C
Solubility	Soluble in Chloroform and Dichloromethane
Vapor Presure	0.0434mmHg at 25°C
Appearance	powder to crystal
Color	White to Almost white
BRN	2693449
pKa	3.76±0.10(Predicted)
Storage Condition	Room Temprature
Sensitive	Stench
MDL	MFCD00040906
Physical and Chemical Properties	Content: ≥ 98.0%

4-[(Trifluoromethyl)-mercapto]-benzoic acid - 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
HS Code	29309090
Hazard Note	Irritant/Stench
Hazard Class	IRRITANT

4-[(Trifluoromethyl)-mercapto]-benzoic acid - Introduction

4-[(Trifluoromethyl)-mercapto]-benzoic acid, also known as 4-[(Trifluoromethyl)-mercapto]-benzoic acid, is an organic compound. The following is a description of its nature, use, formulation and safety information:

Nature:
-chemical formula: C8H5F3O2S
-Molecular weight: 238.19g/mol
-Appearance: White crystalline solid
-Melting point: 148-150 ° C
-Solubility: Soluble in organic solvents, insoluble in water

Use:
-Trifluoromethylthiobenzoic acid is widely used in organic synthesis. One common use is as a synthetic intermediate for the Study of ligands for the preparation of metal complexes with specific properties.
-It is also used as an intermediate in the fields of medicine and pesticide, and participates in a variety of organic synthesis reactions.

Method:
-Trifluoromethylthio benzoic acid can be obtained by reacting benzoic acid with trifluoromethanethiol. The reaction is generally carried out under acidic conditions, and the progress of the reaction is promoted by heating.

Safety Information:
-Trifluoromethylthiobenzoic acid is irritating to the skin and eyes, so pay attention to avoid direct contact when using it.
-During operation, good ventilation measures should be taken to avoid inhalation of its vapors.
-Wear protective glasses and gloves when using to prevent skin and eye irritation from contact.
-Avoid contact with oxidants and heat sources during storage to prevent the risk of fire and explosion.

Please note that this is only a basic introduction to 4-[(Trifluoromethyl)-mercapto]-benzoic acid. When using and handling chemicals, be sure to refer to specific safety data sheets and procedures.

Last Update：2024-04-09 15:17:56