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1221722-10-6 | 2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic acid

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Purchase CAS:1221722-10-6 | 2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic acid,view related peer-reviewed papers,technical documents,similar products,MSDS & more.2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic acid is a chemical compound with the CAS Number: 1221722-10-6. Its molecular formula is C15H11F3O3 . It is a solid substance stored at room temperature in an inert atmosphere ....
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CAS:1221722-10-6 | 2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic acid,Description

2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic acid is a chemical compound with the CAS Number: 1221722-10-6. Its molecular formula is C15H11F3O3. It is a solid substance stored at room temperature in an inert atmosphere.

 

Molecular Structure Analysis

The InChI code for this compound is 1S/C15H11F3O3/c1-9-12(3-2-4-13(9)14(19)20)10-5-7-11(8-6-10)21-15(16,17)18/h2-8H,1H3,(H,19,20). This code provides a unique representation of the molecule’s structure.

 

Physical And Chemical Properties Analysis

This compound has a molecular weight of 296.25. It is a solid substance stored at room temperature in an inert atmosphere.

 

Scientific Research Applications

 

Novel Fluorescence Probes Development

The development of novel fluorescence probes, such as 2-[6-(4′-hydroxy)phenoxy-3H-xanthen-3-on-9-yl]benzoic acid and its variants, has been researched for detecting reactive oxygen species (ROS) like hydroxyl radicals and peroxidase intermediates. These probes have shown significant potential in differentiating between various ROS and in visualizing hypochlorite generated in stimulated neutrophils (Setsukinai et al., 2003).

Polyaniline Doping

Benzoic acids, including substituted benzoic acids like 2-methyl-3-(4-trifluoromethoxyphenyl)benzoic acid, have been investigated as novel dopants for polyaniline. These acids influence the properties of polyaniline salts, as studied through various spectroscopic and conductivity measurements (Amarnath & Palaniappan, 2005).

Plant Growth Regulation

Research on substituted benzoic acids, including chloro- and methyl-substituted phenoxyacetic and benzoic acids, has shown their significant physiological activity in plant growth regulation. This involves understanding the effects of different substituents in the aromatic ring of benzoic acids on growth-promoting activity (Pybus et al., 1959) .

Quantum Structure-Metabolism Relationships

An extensive study has been conducted on the quantum structure-metabolism relationships for substituted benzoic acids, including 2-methyl-3-(4-trifluoromethoxyphenyl)benzoic acid. This research helps in understanding the metabolic fate of these compounds, which is crucial in drug design and pharmacology (Ghauri et al., 1992).

Corrosion Inhibition in Mild Steel

Recent studies have been focused on the synthesis of compounds derived from benzoic acids for their use as corrosion inhibitors in acidic environments. Such compounds are found to protect mild steel against corrosion effectively, highlighting their potential industrial applications (Arrousse et al., 2021).

Water Purification Studies

Benzoic acids, including their derivatives, have been used in studies involving water purification using near-UV illuminated suspensions of titanium dioxide. This process is effective in oxidizing organic compounds present in water to carbon dioxide (Matthews, 1990).

Safety And Hazards

The safety information available indicates that this compound may be harmful if swallowed, causes skin irritation, serious eye irritation, and may cause respiratory irritation. Precautionary measures include avoiding breathing dust, washing skin thoroughly after handling, and using only outdoors or in a well-ventilated area.

More Information

Product Name:2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic acid
Synonyms:2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic acid;2-Methyl-4'-(trifluoroMethoxy)biphenyl-3-carboxylic acid;2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxylic acid;1,1'-Biphenyl]-3-carboxylic acid, 2-methyl-4'-(trifluoromethoxy)-;Erismodegib Impurity 1;Sonidegib metabolite M48;LGE 899;LGE899
CAS:1221722-10-6
MF:C15H11F3O3
MW:296.24
EINECS: 
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Mol File:1221722-10-6.mol
 
2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic acid Chemical Properties
Melting point 113-115°C
Boiling point 374.0±42.0 °C(Predicted)
density 1.322±0.06 g/cm3(Predicted)
storage temp. 2-8°C
solubility DMSO (Slightly), Methanol (Slightly)
pka3.78±0.10(Predicted)
form Solid
color White

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