778-35-8

Basic information

• Product Name: 4-METHYLHEPTAFLUOROTOLUENE
• Synonyms: 1,2,4,5-Tetrafluoro-3-methyl-6-(trifluoromethyl)benzene;4-METHYLHEPTAFLUOROTOLUENE;4-Methyl-2,3,5,6-tetrafluorobenzotrifluoride;alpha,alpha,alpha-2,3,5,6-heptafluoro-p-xylene
• CAS NO: 778-35-8
• Molecular Formula: C₈H₃F₇
• Molecular Weight: 232.1
• Mol File: 778-35-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 143-145
• Flash Point: 41.7°C
• Appearance: /
• Density: 1.528
• Vapor Pressure: 7.29mmHg at 25°C
• Refractive Index: 1.329
• CAS DataBase Reference: 4-METHYLHEPTAFLUOROTOLUENE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYLHEPTAFLUOROTOLUENE(778-35-8)
• EPA Substance Registry System: 4-METHYLHEPTAFLUOROTOLUENE(778-35-8)

Safety Data

• Hazard Codes: Xi
• RIDADR: 1993
• HazardClass: 3.2
• PackingGroup: III
• Hazardous Substances Data: 778-35-8(Hazardous Substances Data)

Usage

General Description

4-Methylheptafluorotoluene is a chemical compound with the molecular formula C8H5F7. It is a colorless liquid that is widely used as a solvent in industrial applications. 4-METHYLHEPTAFLUOROTOLUENE is highly stable and non-reactive, making it suitable for use in various chemical processes. 4-Methylheptafluorotoluene is known for its high thermal and chemical stability, as well as its low toxicity. It is also used as a heat transfer fluid and as a component in some electronic devices. Due to its inert nature and low environmental impact, it is considered to be a relatively safe and sustainable chemical option for industrial use.

InChI:InChI=1/C8H3F7/c1-2-4(9)6(11)3(8(13,14)15)7(12)5(2)10/h1H3

Upstream product

• 392-56-3 Hexafluorobenzene 
• 187835-69-4 1-trifluoromethyl-4-dichloromethyl-2,3,5,6-tetrafluorobenzene 
• 187835-67-2 2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzaldehyde 
• 20017-49-6 perfluoro-para-cymene 
• 72873-61-1 1-trifluoromethyl-2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoro-2-propyl)benzene 
• 17823-46-0 4-trifluoromethyl-2,3,5,6-tetrafluorobromobenzene 
• 72873-65-5 perfluoro-α,4-dimethylstyrene 
• 114649-16-0 1-trifluoromethyl-4-difluoromethyl-2,3,5,6-tetrafluorobenzene 
• 137711-43-4 1-trifluoromethyl-2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethyl)benzene 
• 651-89-8 1,2,4,5-tetrafluoro-3,6-bis-trifluoromethyl-benzene 
• 592-41-6 1-hexene 
• 434-64-0 perfluorotoluene 
• 917-54-4 methyllithium 
• 917-64-6 methyl magnesium iodide 

Downstream Products

• 53575-25-0 p-Methyl-hexafluorbenzyl-Kation 
• 76437-40-6 2,3,5,6-tetrafluoro-4-trifluoromethyl benzyl bromide 

Relevant articles and documents

A Key Intermediate in Copper-Mediated Arene Trifluoromethylation, [nBu4N][Cu(Ar)(CF3)3]: Synthesis, Characterization, and C(sp2)?CF3 Reductive Elimination

The synthesis, characterization, and C(sp2)?CF3 reductive elimination of stable aryl[tris(trifluoromethyl)]cuprate(III) complexes [nBu4N][Cu(Ar)(CF3)3] are described. Mechanistic investigations, including kinetic studies, studies of the effect of temperature, solvent, and the para substituent of the aryl group, as well as DFT calculations, suggest that the C(sp2)?CF3 reductive elimination proceeds through a concerted carbon–carbon bond-forming pathway.

Transformations of perfluoroxylenes and perfluoro-p-cymene under the action of Zn(Cu)-DMF-H2O

Perfluorinated xylenes and perfluoro-para-cymene undergo hydrodefluorination under the action of Zn(Cu)-DMF-H2O. Hydrogen enters mainly at the benzyl position of para-dialkylbenzenes and at the para position to perfluoroalkyl groups of perfluor