13656-36-5

Basic information

• Product Name: 3,5-DICHLORO-2,4,6-TRIFLUOROBENZOIC ACID
• Synonyms: 3,5-DICHLORO-2,4,6-TRIFLUOROBENZOIC ACID
• CAS NO: 13656-36-5
• Molecular Formula: C₇HCl₂F₃O₂
• Molecular Weight: 244.98
• Mol File: 13656-36-5.mol

Chemical Properties

• Melting Point: 142 °C
• Boiling Point: 288 °C at 760 mmHg
• Flash Point: 128 °C
• Appearance: /
• Density: 1.768 g/cm³
• Vapor Pressure: 0.00112mmHg at 25°C
• Refractive Index: 1.532
• Storage Temp.: 2-8°C
• PKA: 1.54±0.10(Predicted)
• CAS DataBase Reference: 3,5-DICHLORO-2,4,6-TRIFLUOROBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DICHLORO-2,4,6-TRIFLUOROBENZOIC ACID(13656-36-5)
• EPA Substance Registry System: 3,5-DICHLORO-2,4,6-TRIFLUOROBENZOIC ACID(13656-36-5)

Safety Data

• Hazard Codes: C,Xi
• HazardClass: IRRITANT, CORROSIVE
• Hazardous Substances Data: 13656-36-5(Hazardous Substances Data)

Usage

Uses

Used in Agricultural Industry:
3,5-Dichloro-2,4,6-trifluorobenzoic acid is used as a herbicide for weed control in agricultural applications. It functions by inhibiting the enzyme protoporphyrinogen oxidase, which plays a crucial role in chlorophyll production within plants. By disrupting the photosynthesis process, 3,5-DICHLORO-2,4,6-TRIFLUOROBENZOIC ACID effectively kills targeted weeds, thereby enhancing crop yield and quality.
Used in Chemical Synthesis:
In the chemical industry, 3,5-dichloro-2,4,6-trifluorobenzoic acid may serve as a key intermediate in the synthesis of various organic compounds and pharmaceuticals. Its unique structure with halogenated substituents can be utilized in reactions such as nucleophilic substitutions, addition reactions, or as a building block in the creation of more complex molecules.
Used in Research and Development:
3,5-Dichloro-2,4,6-trifluorobenzoic acid is also utilized in research settings to study the effects of halogenated benzoic acid derivatives on biological systems. It can be employed to investigate the mechanisms of action of herbicides, the interaction of such compounds with enzymes, and their potential applications in other areas of chemistry and biology.

InChI:InChI=1/C7HCl2F3O2/c8-2-4(10)1(7(13)14)5(11)3(9)6(2)12/h(H,13,14)

Upstream product

• 20925-85-3 pentachlorobenzonitrile 
• 31881-89-7 3,5-dichloro-2,4,6-trifluorobenzonitrile 
• 124-38-9 carbon dioxide 
• 1825-23-6 pentachlorobenzoyl chloride 
• 13656-38-7 3,5-dichloro-2,4,6-trifluorobenzoyl fluoride 

Downstream Products

• 2368-53-8 1,3-dichloro-2,4,6-trifluorobenzene 
• 2713-34-0 3,5-difluorophenol 
• 352-11-4 1-chloromethyl-4-fluorobenzene 
• 456-22-4 4-Fluorobenzoic acid 
• 72235-52-0 2,4-Difluoro-benzylamine 
• 1583-58-0 2,4-difluoro-benzoic acid 
• 4640-67-9 3-(4-fluorophenyl)-3-oxopropionitrile 
• 403-33-8 methyl 4-flurobenzoate 
• 403-43-0 4-fluorobenzoyl chloride 
• 86386-73-4 fluconazole 
• 729559-69-7 N-(4-cyanophenyl)-2,4-difluorobenzamide 
• 459-56-3 4-fluorobenzylic alcohol 
• 72482-64-5 2,4-difluorobenzoyl chloride 
• 372-38-3 1,3,5-trifluorobenzene 

Relevant articles and documents

Synthesis method of 3, 5-difluorophenol

The invention discloses a synthetic method of 3, 5-difluorophenol, and belongs to the technical field of chemical synthesis. According to the method, 3,5-difluorophenolate is obtained through a one-pot reaction of 2,4,6-trifluorobenzoic acid in a solvent under the action of alkali, 3,5-difluorophenol is obtained after acid regulation and dissociation, and the method has the advantages of cheap and easily available raw materials, short synthesis steps, simple operation, mild reaction conditions, high synthesis yield, good product quality, suitability for industrial production and the like. According to the method, cheap and easily available pentachloronitrile is taken as a raw material, 2, 4, 6-trifluoro-3, 5-dichlorobenzonitrile is obtained through a fluorination reaction, 2, 4, 6-trifluoro-3, 5-dichlorobenzoic acid is obtained through a hydrolysis reaction, and finally, the raw material 2, 4, 6-trifluoro-3, 5-dichlorobenzoic acid is synthesized through a selective dechlorination reaction, so that simple, cheap and efficient preparation of the raw material 2, 4, 6-trifluorobenzoic acid is realized, and the industrial application value of the synthesis process is improved.

PROCESS FOR PREPARATION OF 2,4,6-TRIFLUOROBENZOIC ACID

The present invention provides a process for the preparation of 2,4,6-trifluorobenzoic acid, having less than 0.05% of 2,6-difluorobenzoic acid and/or 2,4-difluorobenzoic acid impurities. The 2,4,6-trifluorobenzoic acid is crucial and an important raw material for preparing the photosensitizers, medicines and pesticides, and also finds applications in pharmaceutical and agrochemical industries.