115029-22-6

Basic information

• Product Name: 2-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID
• Synonyms: BUTTPARK 29\06-65;2-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID;RARECHEM AL BO 0625;alpha,alpha,alpha,2-Tetrafluoro-m-toluic acid;2-FLUORO-3-TRIFLUOROMETHYLBENZIOC ACID;à,à,à,2-tetrafluoro-m-toluic acid;2-Fluoro-3-(trifluoromethyl)benzoic acid 98%;2-Fluoro-3-(trifluoromethyl)benzoicacid98%
• CAS NO: 115029-22-6
• Molecular Formula: C₈H₄F₄O₂
• Molecular Weight: 208.11
• Product Categories: Miscellaneous;Benzenes;C8;Carbonyl Compounds;Carboxylic Acids;Fluorine series
• Mol File: 115029-22-6.mol

Chemical Properties

• Melting Point: 126-128 °C(lit.)
• Boiling Point: 249.6 °C at 760 mmHg
• Flash Point: 104.7 °C
• Appearance: White to beige/Crystalline Powder
• Density: 1.489 g/cm³
• Vapor Pressure: 0.012mmHg at 25°C
• CAS DataBase Reference: 2-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID(115029-22-6)
• EPA Substance Registry System: 2-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID(115029-22-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 115029-22-6(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
2-Fluoro-3-(trifluoromethyl)benzoic acid is used as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique structure and reactivity make it a valuable building block for the development of new compounds with specific properties and applications.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Fluoro-3-(trifluoromethyl)benzoic acid is used as a starting material for the synthesis of various drug candidates. Its presence in the molecular structure can impart specific biological activities, such as improved potency, selectivity, or metabolic stability, making it an important component in the development of new therapeutic agents.
Used in Agrochemical Industry:
2-Fluoro-3-(trifluoromethyl)benzoic acid is also utilized in the agrochemical industry for the synthesis of novel pesticides and herbicides. The introduction of fluorine and trifluoromethyl groups can enhance the lipophilicity, volatility, and biological activity of the resulting compounds, leading to more effective and targeted pest control solutions.
Used in Specialty Chemicals:
In the specialty chemicals sector, 2-Fluoro-3-(trifluoromethyl)benzoic acid is employed in the production of various high-performance materials, such as polymers, dyes, and coatings. Its unique chemical properties can contribute to improved performance characteristics, such as increased thermal stability, chemical resistance, or UV resistance, making it a valuable component in the development of advanced materials.

InChI:InChI=1/C8H4F4O2/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H,13,14)/p-1

Upstream product

• 124-38-9 carbon dioxide 
• 392-85-8 1-fluoro-2-trifluoromethylbenzene 

Downstream Products

• 680610-54-2 2-fluoro-N-methoxy-N-methyl-3-(trifluoromethyl)benzamide 
• 178748-05-5 methyl 2-fluoro-3-(trifluoromethyl)benzoate 
• 164341-19-9 2-Fluoro-3-trifluoromethylbenzoylguanidine hydrochloride 
• 885328-05-2 tert-butyl 4-(2-fluoro-3-(trifluoromethyl)benzoyl)piperazine-1-carboxylate 
• 208173-19-7 2-fluoro-3-trifluoromethylbenzoyl chloride 
• 1244694-56-1 C₂₂H₁₅F₄N₃O₂ 
• 680610-69-9 2,4-dimethoxyphenyl[(2-fluoro-3-(trifluoromethyl)phenyl)]methanone 
• 1227290-31-4 3,4-dimethoxyphenyl[(2-fluoro-3-(trifluoromethyl)phenyl)]methanone 
• 680611-18-1 3-(2,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indazole 
• 1227290-32-5 3-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indazole 
• 1276040-15-3 C₁₅H₁₀F₄O₂ 
• 1211596-75-6 methyl 2-cyano-3-(trifluoromethyl)benzoate 

Relevant articles and documents

Discovery of Orally Bioavailable Ligand Efficient Quinazolindiones as Potent and Selective Tankyrases Inhibitors

We report herein the discovery of quinazolindiones as potent and selective tankyrase inhibitors. Elucidation of the structure-activity relationship of the lead compound 1g led to truncated analogues that have good potency in cells, pharmacokinetic (PK) properties, and excellent selectivity. Compound 21 exhibited excellent potencies in cells and proliferation studies, good selectivity, in vitro activities, and an excellent PK profile. Compound 21 also inhibited H292 xenograft tumor growth in nude mice. The synthesis, biological, pharmacokinetic, in vivo efficacy studies, and safety profiles of compounds are presented.

2-chloro-3-fluoro-4-(trifluoromethyl) benzaldehyde and synthesis method thereof

The invention belongs to the technical field of pesticide intermediates, and particularly relates to 2-chloro-3-fluoro-4-(trifluoromethyl) benzaldehyde. The invention discloses unreported 2-chloro-3-fluoro-4-(trifluoromethyl) benzaldehyde and a synthetic method thereof. In the synthesis process, the product is formed through reaction under normal pressure, the process is simple, industrial application is facilitated, reaction conditions are mild, operation is easy, and the industrial production requirement is met; the 2-chloro-3-fluoro-4-(trifluoromethyl) benzaldehyde disclosed by the invention can be widely applied to a pesticide synthesis process, such as synthesis of pesticides such as herbicides and the like, and is relatively high in synthesis yield and relatively high in purity.

P2X7 MODULATORS

The present invention is directed to compounds of Formulas (I, IIa and IIb): The invention also relates to pharmaceutical compositions comprising compounds of Formulas (I, IIa and IIb). Methods of making and using the compounds of Formulas (I, IIa and IIb) are also within the scope of the invention.

QUINAZOLINEDIONES AS TANKYRASE INHIBITORS

This invention relates to the use of quinazolinediones for the modulation, notably the inhibition of the activity of tankyrases (TNKS1 and TNKS2). Suitably, the present invention relates to the use of quinazolinediones in the treatment of cancer, fibrosis and other hyperproliferative diseases through this mechanism.

INHIBITORS OF STEAROYL-COA DESATURASE

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.