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654-98-8 | 5-Chloro-2-(trifluoromethyl)benzoicacid

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Purchase CAS:654-98-8 | 5-Chloro-2-(trifluoromethyl)benzoicacid,view related peer-reviewed papers,technical documents,similar products,MSDS & more.5-Chloro-2-(trifluoromethyl)benzoic acid is a chemical compound ....
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CAS:654-98-8 | 5-Chloro-2-(trifluoromethyl)benzoicacid,Description

5-Chloro-2-(trifluoromethyl)benzoic acid is a chemical compound.

 

Molecular Structure Analysis

The molecular formula of 5-Chloro-2-(trifluoromethyl)benzoic acid is C8H4ClF3O2. It has a molecular weight of 224.56.

 

Physical And Chemical Properties Analysis

5-Chloro-2-(trifluoromethyl)benzoic acid is a white crystalline powder. It has a melting point of 93-96 °C.

 

Scientific Research Applications

 

Structural Characterization in Antituberculosis Drug Synthesis

5-Chloro-2-(trifluoromethyl)benzoic acid is a precursor in synthesizing 8-nitro-1,3-benzothiazin-4-ones, a new class of antituberculosis drugs. The crystal and molecular structures of this compound are significant for understanding the synthesis process of these promising drug candidates (A. Richter et al., 2021).

Plant Growth Regulation

This compound's derivatives have been studied for their role in plant growth regulation. Research involving chloro- and methyl-substituted phenoxyacetic and benzoic acids, including 5-Chloro-2-(trifluoromethyl)benzoic acid, shows how different substitutions can influence plant growth, demonstrating their potential in agricultural sciences (Mary B. Pybus et al., 1959) .

Key Intermediate in Diabetes Therapy

This compound is also a key intermediate in synthesizing SGLT2 inhibitors, used in preclinical and phase I studies for diabetes therapy. Its scalable and cost-effective production from dimethyl terephthalate is notable for the pharmaceutical industry (Yi Zhang et al., 2022).

Antimicrobial Activity

Derivatives of 5-Chloro-2-(trifluoromethyl)benzoic acid have been assessed for their antimicrobial properties. Specific thioureides derived from this compound have shown selective and effective antimicrobial activities, potentially useful in treating multidrug-resistant infections (Carmen Limban et al., 2008).

Safety And Hazards

This chemical is considered hazardous by the 2012 OSHA Hazard Communication Standard (29 CFR 1910.1200). It causes skin irritation, serious eye irritation, and may cause respiratory irritation. It’s recommended to avoid breathing dust/fume/gas/mist/vapors/spray and to use only outdoors or in a well-ventilated area.

More Information

Product Name:5-Chloro-2-(trifluoromethyl)benzoicacid
Synonyms:Jrd-1033;5-Chloro-2-(trifluoromethyl)benzoic acid ,98%;2-Carboxy-4-chlorobenzotrifluoride;2-Trifluoromethyl-5-chlorobenzoic acid;Benzoic acid, 5-chloro-2-(trifluoromethyl)-
CAS:654-98-8
MF:C8H4ClF3O2
MW:224.56
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Mol File:654-98-8.mol
 
5-Chloro-2-(trifluoromethyl)benzoicacid Chemical Properties
Melting point 84-87°C
Boiling point 272.2±40.0 °C(Predicted)
density 1.523±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
pka2.86±0.36(Predicted)

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MS

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1HNMR

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IR1

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