|
|
| | 3-(Trifluoromethyl)benzoic acid Basic information |
| Product Name: | 3-(Trifluoromethyl)benzoic acid | | Synonyms: | m-Trifluoromethylbenzoic acid,alpha,alpha,alpha-Trifluoro-m-toluic acid;3-trifluoromethylbenzoate;m-benzoic Acid;m-Toluic acid, alpha,alpha,alpha-trifluoro-;m-Trifluorometylbenzoic acid;A,A,A-TRIFLUORO-M-TOLUIC ACID;ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIC ACID;3-CARBOXYBENZOTRIFLUORIDE | | CAS: | 454-92-2 | | MF: | C8H5F3O2 | | MW: | 190.12 | | EINECS: | 207-230-2 | | Product Categories: | Building Blocks;C8;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Benzotrifluoride Series;blocks;Carboxes;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzene series | | Mol File: | 454-92-2.mol |  |
| | 3-(Trifluoromethyl)benzoic acid Chemical Properties |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-24/25 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29163900 | | Storage Class | 11 - Combustible Solids |
| | 3-(Trifluoromethyl)benzoic acid Usage And Synthesis |
| Chemical Properties | White to light yellow crystal powde | | Uses | pKa values of 3-(trifluoromethyl)benzoic acid in water and in methanol has been measured. Solubility of 3-(trifluoromethyl)benzoic acid in dense carbon dioxide was evaluated to investigate the influence of fluorination on the solubility of organic pharmaceuticals in dense carbon dioxide. | | Definition | ChEBI: A benzoic acid carrying a trifluoromethyl substituent at the 3-position. | | General Description | pKa values of 3-(trifluoromethyl)benzoic acid in water and in methanol has been measured. Solubility of 3-(trifluoromethyl)benzoic acid in dense carbon dioxide was evaluated to investigate the influence of fluorination on the solubility of organic pharmaceuticals in dense carbon dioxide. | | Synthesis | In a 250 ml three-necked flask, add 100 g of m-(trifluoromethyl)benzyl chloride, 0.5 g of initiator azodiisoheptanenitrile, warm up to 70C, start to pass dry chlorine gas, control the temperature of chlorine pass to keep between 70-75C, wait until the specific gravity of the reaction liquid reaches 1.48-1.50 when the chlorine pass is over, drive off the residual chlorine, and then evaporate under a reduced-pressure 2 mm Hg column at 53-55C, (German Patent DE2548970 (1997) reported under reduced pressure 11mmHg column, bp87 ), the content of 96.9% of 1-(trichloromethyl)-3-(trifluoromethyl)benzene 127g, yield 91.8%. Then put 50g of prepared 1-(trichloromethyl)-3-(trifluoromethyl)benzene, 1600g of 2.5% aqueous NaOH solution in a 3000ml three-necked flask, heated and refluxed for 12 hours, neutralized the pH of the reaction solution with 10% hydrochloric acid to 4, white precipitate precipitation precipitated, pumped and filtered, a small amount of water washed, dried in vacuum at 60 for 10 hours to obtain the white powdery m-(trifluoromethyl)benzoic acid crude product 32.4g, content 97.3%, melting point 103-104C, reaction yield 88.6%. After the crude product was recrystallized by CCl4, the melting point was 105.2-105.5 C, and the melting point of 99% pure m-(trifluoromethyl)benzoic acid was 105-106 C.
|
| | 3-(Trifluoromethyl)benzoic acid Preparation Products And Raw materials |
|