2358-29-4

Basic information

• Product Name: 2,3,6-TRIFLUOROBENZOIC ACID
• Synonyms: RARECHEM AL BO 0267;2,3,6-TRIFLUOROBENZOIC ACID;2,3,6-Trilfuorobenzoic acid;2,3,6-Trifluorobenzoic acid 98%;2,3,6-Trifluorobenzoicacid98%;2,5,6-Trifluorobenzoic acid;2,3,6-Trifluorobenzo
• CAS NO: 2358-29-4
• Molecular Formula: C₇H₃F₃O₂
• Molecular Weight: 176.09
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Miscellaneous;C7;Carbonyl Compounds;Carboxylic Acids;Thiophenes
• Mol File: 2358-29-4.mol
• Article Data: 6

Chemical Properties

• Melting Point: 130-131 °C(lit.)
• Boiling Point: 233.5 °C at 760 mmHg
• Flash Point: 95 °C
• Appearance: white to light yellow crystal powder
• Density: 1.536 g/cm³
• Vapor Pressure: 0.0308mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.00±0.10(Predicted)
• BRN: 2579153
• CAS DataBase Reference: 2,3,6-TRIFLUOROBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,6-TRIFLUOROBENZOIC ACID(2358-29-4)
• EPA Substance Registry System: 2,3,6-TRIFLUOROBENZOIC ACID(2358-29-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36
• WGK Germany: 3
• Hazardous Substances Data: 2358-29-4(Hazardous Substances Data)

Usage

Description

2,3,6-Trifluorobenzoic acid is a trifluorinated analogue of benzoic acid, characterized by its white to light yellow crystal powder appearance. It has been studied through Raman and FTIR spectra for its chemical properties.

Uses

Used in Pharmaceutical Industry:
2,3,6-Trifluorobenzoic acid is used as a synthetic intermediate for the development of inhibitors targeting malaria aspartyl proteases, specifically Plasmepsin I and II. Its trifluorinated structure contributes to its effectiveness in inhibiting these proteases, which are crucial for the survival of the malaria parasite.
Used in Chemical Synthesis:
As a synthetic intermediate, 2,3,6-trifluorobenzoic acid is utilized in the creation of various chemical compounds and materials, taking advantage of its unique trifluorinated structure to enhance the properties of the final products.

InChI:InChI=1/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)/p-1

Upstream product

• 327-52-6 1-bromo-2,4,5-trifluorobenzene 
• 124-38-9 carbon dioxide 
• 1868-85-5 (2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)hydrazine 
• 32890-92-9 2,3,4,6-tetrafluorobenzoic acid 
• 367-23-7 1,2,4-trifluorobenzene 
• 2367-82-0 1,2,3,5-tetrafluorobenzene 
• 136514-17-5 2,3,6-trifluorobenzonitrile 

Downstream Products

• 455-38-9 3-fluorobenzoic acid 
• 65-85-0 benzoic acid 
• 2991-28-8 2,5-difluorobenzoic acid 
• 114152-19-1 2,3,6-trifluorobenzyl alcohol 
• 114152-20-4 2,3,6-trifluorobenzyl chloride 
• 114152-23-7 2-(2,3,6-trifluorophenyl)acetic acid 

Relevant articles and documents

CARBOXYLATION CATALYSTS

The use of a complex of the form Z—M—OR in the carboxylation of a substrate is described. The group Z is a two-electron donor ligand, M is a metal and OR is selected from the group consisting of OH, alkoxy and aryloxy. The substrate may be carboxylated at a C—H or N—H bond. The metal M may be copper, silver or gold. The two-electron donor ligand may be a phosphine, a carbene or a phosphite ligand. Also described are methods of manufacture of the complexes and methods for preparing isotopically labelled caboxylic acids and carboxylic acid derivatives.

Carboxylation of N-H/C-H bonds using n-heterocyclic carbene copper(I) complexes

Greenhouse gas makes good: A simple copper-mediated protocol has been developed where N-H or C-H bonds can be directly functionalized using an easily prepared catalyst. The novel [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene] copper(I) hydroxide, [Cu(IPr)(OH)], permits the facile activation and carboxylation of N-H and C-H bonds with pKavalues of less than 27.7 (see scheme).

2,3-difluoro-6-nitrobenzonitrile and 2-chloro-5,6-difluorobenzonitrile-(2,3-difluoro-6-chlorobenzonitrile), process for their preparation and their use for the preparation of 2,3,6-trifluorobenzoic acid

The present invention describes the novel intermediates 2,3-difluoro-6-nitrobenzonitrile and 2-chloro-5,6-difluorobenzonitrile, a process for their preparation and their advantageous use for the preparation of 2,3,6-trifluorobenzoic acid, which in turn is