312-95-8

Basic information

• Product Name: alpha,alpha,alpha,alpha',alpha'-pentafluoro-o-xylene
• Synonyms: alpha,alpha,alpha,alpha',alpha'-pentafluoro-o-xylene;1-(Difluoromethyl)-2-(trifluoromethyl)benzene
• CAS NO: 312-95-8
• Molecular Formula: C₈H₅F₅
• Molecular Weight: 196.117316
• EINECS: 206-234-1
• Mol File: 312-95-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 142.4°Cat760mmHg
• Flash Point: 42.6°C
• Appearance: /
• Density: 1.299g/cm³
• CAS DataBase Reference: alpha,alpha,alpha,alpha',alpha'-pentafluoro-o-xylene(CAS DataBase Reference)
• NIST Chemistry Reference: alpha,alpha,alpha,alpha',alpha'-pentafluoro-o-xylene(312-95-8)
• EPA Substance Registry System: alpha,alpha,alpha,alpha',alpha'-pentafluoro-o-xylene(312-95-8)

Safety Data

• Hazardous Substances Data: 312-95-8(Hazardous Substances Data)

Usage

General Description

Alpha,alpha,alpha,alpha',alpha'-pentafluoro-o-xylene is a highly fluorinated aromatic compound with the molecular formula C8HF5. It is a colorless liquid with a distinct, sweet odor and is insoluble in water. alpha,alpha,alpha,alpha',alpha'-pentafluoro-o-xylene is primarily used as a building block in the synthesis of other fluorinated compounds and materials, such as pharmaceuticals, agrochemicals, and advanced materials. Due to its highly fluorinated structure, alpha,alpha,alpha,alpha',alpha'-pentafluoro-o-xylene exhibits high thermal and chemical stability, making it useful in various industrial applications. However, it is important to handle this chemical with care, as it is considered hazardous and may have harmful effects on human health and the environment.

Upstream product

• 2741-57-3 o-dichloromethyltrichloromethylbenzene 
• 95-47-6 o-xylene 
• 395-01-7 2,2-difluoro-1-phenylethanone 
• 392-83-6 o-trifluoromethylphenyl bromide 
• 1577232-80-4 2,2-difluoro-1-phenyl-2-(2-(trifluoromethyl)phenyl)ethanone 
• 433-95-4 1,2-bis(trifluoromethyl)benzene 

Downstream Products

• 447-61-0 2-Trifluoromethylbenzaldehyde 
• 312-91-4 1-(chloro-difluoro-methyl)-2-trifluoromethyl-benzene 
• 312-94-7 2-trifluoromethylbenzoyl chloride 

Relevant articles and documents

Selective Late-Stage Hydrodefluorination of Trifluoromethylarenes: A Facile Access to Difluoromethylarenes

A selective reductive monodefluorination reaction of trifluoromethyl arenes was developed. Mediated by magnesium metal, various difluoromethylated aromatics were accessed at room temperature in the presence of acetic acid. This protocol shows tolerance to a wide range of functional groups and it was applicable in late-stage hydrodefluorination of complex pharmaceutical compounds, affording the corresponding CF2H analogues and their deuterated (CF2D) counterparts.

Pd-catalyzed α-arylation of α,α-difluoroketones with aryl bromides and chlorides. A route to difluoromethylarenes

We report the Pd-catalyzed α-arylation of α,α- difluoroketones with aryl and heteroaryl bromides and chlorides catalyzed by an air- and moisture-stable palladacyclic complex containing P(t-Bu)Cy2 as ligand. The combination of this Pd-catalyzed arylation and base-induced cleavage of the acyl-aryl C-C bond within the α-aryl-α,α- difluoroketone constitutes a one-pot, two-step procedure to synthesize difluoromethylarenes from aryl halides. A broad range of electronically varied aryl and heteroaryl bromides and chlorides underwent these two transformations, providing α-aryl-α,α-difluoroketones, difluoromethylarenes, and difluoromethylheteroarenes in high yields.