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3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID

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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
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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
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Safety Information

HS Code 
2916399090
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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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