85068-27-5

Basic information

• Product Name: 2,5-Difluorophenylacetic acid
• Synonyms: Benzeneacetic acid, 2,5-difluoro-;2,5-DIFLUOROPHENYLACETIC ACID;RARECHEM AL BO 0248;TIMTEC-BB SBB006659;2-(2,5-DIFLUOROPHENYL)ACETIC ACID;2-flurobenzonitrile;2,5-Difluorophenylacetic acid 97%;2,5-Difluorophenylaceticacid97%
• CAS NO: 85068-27-5
• Molecular Formula: C₈H₆F₂O₂
• Molecular Weight: 172.13
• EINECS: 285-288-8
• Product Categories: Phenylacetic acid series;Aromatic Phenylacetic Acids and Derivatives;Carboxylic Acids;Phenyls & Phenyl-Het;Phenylacetic acid;Miscellaneous;Carboxylic Acids;Phenyls & Phenyl-Het;C8;Carbonyl Compounds;Fluorine series
• Mol File: 85068-27-5.mol
• Article Data: 3

Chemical Properties

• Melting Point: 126-128 °C(lit.)
• Boiling Point: 219°C (rough estimate)
• Flash Point: 106 °C
• Appearance: white crystals or crystalline flakes
• Density: 1,02 g/cm3
• Vapor Pressure: 0.00859mmHg at 25°C
• Refractive Index: 1.508
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.81±0.10(Predicted)
• BRN: 6844956
• CAS DataBase Reference: 2,5-Difluorophenylacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Difluorophenylacetic acid(85068-27-5)
• EPA Substance Registry System: 2,5-Difluorophenylacetic acid(85068-27-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 85068-27-5(Hazardous Substances Data)

Usage

Chemical Properties

white crystals or crystalline flakes

Uses

2,5-Difluorophenylacetic acid has been used in the synthesis of 2,2-dimethyl-4-(2,5-difluorophenyl)-5-[4-(aminosulfonyl)phenyl]-3(2H)-furanone.

InChI:InChI=1/C8H6F2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)

Upstream product

• 124-38-9 carbon dioxide 
• 75853-20-2 2,5-difluoro-benzyl alcohol 
• 167484-38-0 methyl 2,5-difluorophenylacetate 
• 367-23-7 1,2,4-trifluorobenzene 

Downstream Products

• 679412-62-5 C₁₆H₁₂F₂N₂O 
• 764667-66-5 5-[1-hydroxy-2-(2,5-difluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione 
• 1444383-49-6 C₂₅H₂₆F₂N₆O₂ 
• 1072429-33-4 2-(2,5-difluorophenyl)-N-(4-methyl-6'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3'-ylmethyl)acetamide 
• 109346-82-9 2-(2,5-difluorophenyl)acetaldehyde 
• 862255-56-9 2-(2,5-difluorophenyl)ethanol 

Relevant articles and documents

Electrochemical direct carboxylation of benzyl alcohols having an electron-withdrawing group on the phenyl ring: One-step formation of phenylacetic acids from benzyl alcohols under mild conditions

Electrochemical direct carboxylation of benzyl alcohols having an electron-withdrawing group on the phenyl ring was successfully carried out by constant current electrolysis using an undivided cell equipped with a platinum plate cathode and a magnesium rod anode in DMF in the presence of carbon dioxide. Reductive cleavage of the C-O bond followed by fixation of carbon dioxide efficiently took place at the benzylic position without any additive to give the corresponding phenylacetic acids in good yields in one step under neutral and mild conditions.

Synthesis of dihalophenylacetic acids using aromatic nucleophilic substitution strategy

A simple synthetic strategy to dihalophenylacetic acids and specifically 3,5-difluorophenylacetic acid an important pharmaceutical intermediate was developed. The aromatic nucleophilic substitution of dihalofluorobenzenes using the anion of ethyl cyanoacetate yielded ethyl dihalophenylcyanoacetates. The basic decarboxylation of the ethyl dihalophenylcyanoacetates produced targeted dihalophenylacetic acids.