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3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID

3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID Structure
CAS No.
53985-49-2
Chemical Name:
3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
Synonyms
3-Chloro-5-carboxybenzotrifluoride;3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID;Benzoic acid, 3-chloro-5-(trifluoromethyl)-;3-Carboxy-5-chlorobenzotrifluoride, 5-Chloro-alpha,alpha,alpha-trifluoro-m-toluic acid
CBNumber:
CB4435008
Molecular Formula:
C8H4ClF3O2
Molecular Weight:
224.56
MOL File:
53985-49-2.mol
MSDS File:
SDS
Modify Date:
2023/12/28 13:07:02

3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID 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

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code  2916399090
NFPA 704
0
2 0

3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID Chemical Properties,Uses,Production

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

1.png
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.

3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID Preparation Products And Raw materials

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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)- 53985-49-2