3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID Basic information
- Product Name:
- 3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
- Synonyms:
-
- 3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
- 3-Chloro-5-carboxybenzotrifluoride
- 3-Carboxy-5-chlorobenzotrifluoride, 5-Chloro-alpha,alpha,alpha-trifluoro-m-toluic acid
- Benzoic acid, 3-chloro-5-(trifluoromethyl)-
- CAS:
- 53985-49-2
- MF:
- C8H4ClF3O2
- MW:
- 224.56
- Mol File:
- 53985-49-2.mol
3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID Chemical Properties
- Melting point:
- 98-101℃
- Boiling point:
- 263℃
- Density
- 1.523
- Flash point:
- 113℃
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Soluble in water.
- CAS DataBase Reference
- 53985-49-2
3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID Usage And Synthesis
Uses
2-Chloro-5-(trifluoromethyl)benzoic acid may be used as surrogate standard to investigate the exposure and home contamination in urine and hand wipe samples collected from farmers.
Synthesis
A solution of tBuONO (35.2 g) and CuCl (38.6 g) in CH3CN (375 mL) was warmed to 45-50° C. The compound (50.0 g) obtained in step 2 was added slowly while cooling the reaction mixture to maintain 45-50° C. After stirring at 50° C. for 30 min, the mixture was cooled to 10° C. 6N Hydrochloric acid (250 mL) was added and the mixture was stirred for 10 min. The resultant product was extracted twice with ethyl acetate. The organic layer was-washed with 10% aqueous citric acid solution and water and dried, and the solvent was evaporated under reduced pressure. The obtained residue was purified by silica gel column chromatography (solvent gradient; 10→25% ethyl acetate/hexane) to give 3-chloro-5-(trifluoromethyl)benzoic acid (33.1 g, 60%) as a white powder.
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