330-17-6
4-[(Trifluoromethyl)-mercapto]-benzoic acid
CAS: 330-17-6
Molecular Formula: C8H5F3O2S
330-17-6 - 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 |
330-17-6 - 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% |
330-17-6 - 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 |
330-17-6 - 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.
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
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