53985-49-2 Usage
Description
3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID is an organic compound characterized by its chloro and trifluoromethyl functional groups attached to a benzoic acid structure. It is a white crystalline solid with potential applications in various fields due to its unique chemical properties.
Uses
Used in Environmental Monitoring:
3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID is used as a surrogate standard for assessing exposure and home contamination in environmental samples. This application is particularly relevant in the agricultural industry, where it helps in understanding the extent of pesticide exposure among farmers.
Used in Urine and Hand Wipe Sample Analysis:
In the field of environmental health, 3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID is utilized as a benchmark to investigate the presence of contaminants in urine and hand wipe samples collected from farmers. This aids in evaluating the effectiveness of safety measures and the potential health risks associated with pesticide exposure.
Used in the Agricultural Industry:
3-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID is used as a reference compound to monitor pesticide residues and their impact on human health and the environment. By analyzing the levels of this compound in samples, researchers and regulatory bodies can better understand the extent of pesticide exposure among farmers and implement strategies to minimize potential risks.
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.
Check Digit Verification of cas no
The CAS Registry Mumber 53985-49-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,9,8 and 5 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 53985-49:
(7*5)+(6*3)+(5*9)+(4*8)+(3*5)+(2*4)+(1*9)=162
162 % 10 = 2
So 53985-49-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H4ClF3O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14)
53985-49-2Relevant articles and documents
PIPERIDINE DERIVATIVE AND USE THEREOF
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, (2008/12/08)
The present invention provides a novel piperidine derivative and a tachykinin receptor antagonist containing same, as well as a compound represented by the formula:wherein R1 is carbamoylmethyl, methylsulfonylethylcarbonyl and the like; R2 is methyl or cyclopropyl; R3 is a hydrogen atom or methyl; R4 is a chlorine atom or trifluoromethyl; R5 is a chlorine atom or trifluoromethyl; and a group represented by the formula:is a group represented by the formula:wherein R6 is a hydrogen atom, methyl, ethyl or isopropyl; R7 is a hydrogen atom, methyl or a chlorine atom; and R8 is a hydrogen atom, a fluorine atom, a chlorine atom or methyl; or 3-methylthiophen-2-yl, and a salt thereof.
