86522-89-6

Basic information

• Product Name: 2,4-Dichloro-5-fluorobenzoic acid
• Synonyms: RARECHEM AL BE 1219;TIMTEC-BB SBB003459;2,4-DICHLORO-5-FLUOROBENZOIC ACID;2,4-difluoro-5-fluorobenzoic acid;2,4-Dichloro-5-Fluro Benzoic Acid;2,4-Dichloro-5-fluorobenzoic;2,4-Dichloro-5-fluorobenzoic acid 98%;2,4-Dichloro-5-fluorobenzoicacid98%
• CAS NO: 86522-89-6
• Molecular Formula: C₇H₃Cl₂FO₂
• Molecular Weight: 209
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;C7;Carbonyl Compounds;Carboxylic Acids;Fluorine series
• Mol File: 86522-89-6.mol
• Article Data: 11

Chemical Properties

• Melting Point: 144-146 °C(lit.)
• Boiling Point: 311.7 °C at 760 mmHg
• Flash Point: 142.3 °C
• Appearance: /
• Density: 1.5231 (estimate)
• Vapor Pressure: 0.000237mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.29±0.25(Predicted)
• CAS DataBase Reference: 2,4-Dichloro-5-fluorobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Dichloro-5-fluorobenzoic acid(86522-89-6)
• EPA Substance Registry System: 2,4-Dichloro-5-fluorobenzoic acid(86522-89-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 86522-89-6(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

InChI:InChI=1/C7H3Cl2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)/p-1

Upstream product

• 704-10-9 2,4-dichloro-5-fluoroacetophenone 
• 1435-48-9 1,3-dichloro-4-fluorobenzene 

Downstream Products

• 106809-14-7 2,4-dichloro-5-fluoro-3-nitro-benzoic acid 
• 71685-44-4 2,4-dichloro-5-methoxybenzoic acid 

Relevant articles and documents

Kilogram-Scale Synthesis of 2,4-Dichloro-5-fluorobenzoic Acid by Air Oxidation under the Continuous-Flow Process

A continuous-flow process for the preparation of 2,4-dichloro-5-fluorobenzoic acid (BA) has been reported. We chose 2,4-dichloro-5-fluoroacetophenone (AP) as starting material and acetic acid as cosolvent to achieve the excellent results in the continuous-flow oxidization system. The nitric acid oxidation of BA is a violent exothermic reaction. However, the continuous-flow system includes advantages such as good mass and heat transfer to ensure the safety of the reaction. The influences of different factors, including reactant ratio, temperature, and residence time, were investigated based on single factor tests. The optimal reaction conditions were obtained, in which the yield reached up to 100%. Compared with the traditional tank reactor process, less nitric acid consumption, a higher product yield, less reacting time, being more environmental friendly, and process continuity ensuring higher operation safety are achieved in the continuous-flow system.

Preparation method of 2,4-dichloro-5-fluorobenzoyl chloride

The invention discloses a preparation method of 2,4-dichloro-5-fluorobenzoyl chloride and belongs to the field of organic synthesis. The preparation method comprises the following steps: with 2,4-dichlorofluorbenzene as a raw material, performing friedel-crafts reaction and hydrolyzation to generate an intermediate, 2,4-dichloro-5-fluorobenzoyl chloride; and hydrolyzing, oxidizing and acylating a byproduct, biopolymer (III), generated by the reaction to obtain a final compound (II), wherein the total yield is 88% or above. According to the invention, the raw material conversation ratio is 80% or above, the defects that existing raw materials are hardly available, and the utilization ratio is low are overcome, resources are saved, the production cost is lowered, and the preparation method is simple to operate and easy for amplified production.

A novel approach to Finafloxacin hydrochloride (BAY35-3377)

Finafloxacin hydrochloride, an important clinical compound was synthesized by a novel synthetic approach. An active intermediate ethyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate 19 was prepared by a new route. The chiral (S,S′)-N-Boc 10 was derived from protected pyrrolidine and the absolute stereochemistry was established by X-ray analysis.