405074-81-9

Basic information

• Product Name: 1-[BIS(TRIFLUOROMETHANESULFONYL)METHYL]-2,3,4,5,6-PENTAFLUOROBENZENE
• Synonyms: 2,3,4,5,6-PENTAFLUOROPHENYLBIS(TRIFLUOROMETHANESULFONYL)METHANE;1-[BIS(TRIFLUOROMETHANESULFONYL)METHYL]-2,3,4,5,6-PENTAFLUOROBENZENE;ALPHA,ALPHA-BIS(TRIFLUOROMETHANESULFONYL)-2,3,4,5,6-PENTAFLUOROTOLUENE;α,α-Bis(trifluoromethanesulfonyl)-2,3,4,5,6-pentafluorotoluene;alpha,alpha-Bis(trifluoromethanesulfonyl)-2,3,4,5,6-pentafluorotoluene 2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane
• CAS NO: 405074-81-9
• Molecular Formula: C₉HF₁₁O₄S₂
• Molecular Weight: 446.21
• Mol File: 405074-81-9.mol
• Article Data: 4

Chemical Properties

• Melting Point: 89 °C
• Boiling Point: 381.965°C at 760 mmHg
• Flash Point: 184.806°C
• Appearance: /
• Density: 1.896g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.42
• Solubility: soluble in Methanol
• CAS DataBase Reference: 1-[BIS(TRIFLUOROMETHANESULFONYL)METHYL]-2,3,4,5,6-PENTAFLUOROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[BIS(TRIFLUOROMETHANESULFONYL)METHYL]-2,3,4,5,6-PENTAFLUOROBENZENE(405074-81-9)
• EPA Substance Registry System: 1-[BIS(TRIFLUOROMETHANESULFONYL)METHYL]-2,3,4,5,6-PENTAFLUOROBENZENE(405074-81-9)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3261
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 405074-81-9(Hazardous Substances Data)

Usage

General Description

1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene is a chemical compound with the molecular formula C12H3F15O4S2. It is a highly fluorinated compound that is used in various industrial applications, especially as a solvent, reagent, and intermediate for the synthesis of other chemicals. The compound is known for its strong electron-withdrawing properties due to its high fluorine content. It is also used as a stabilizer and modifier in polymer materials. Additionally, this compound has potential applications in the field of pharmaceuticals, agrochemicals, and advanced materials due to its unique chemical properties.

InChI:InChI=1/C9HF11O4S2/c10-2-1(3(11)5(13)6(14)4(2)12)7(25(21,22)8(15,16)17)26(23,24)9(18,19)20/h7H

Upstream product

• 358-23-6 trifluoromethylsulfonic anhydride 
• 405074-85-3 (2,3,4,5,6-pentafluorophenyl)methyl trifluoromethyl sulfone 
• 1765-40-8 (bromomethyl)pentafluorobenzene 

Downstream Products

• 949089-97-8 C₉HF₁₁O₄S₂*C₃₄H₃₂BNO 

Relevant articles and documents

Facile synthesis of aryl- and alkyl-bis(trifluoromethylsulfonyl)methanes

Various arylbis(trifluoromethylsulfonyl)methanes (1) have been synthesized by reacting the corresponding benzylic halides with sodium trifluoromethanesulfinate and then with triflic anhydride. In addition, when the aryl group of 1 is a pentafluorophenyl group, the nucleophilic para-substitution of the aryl group with alkyllithiums and sodium alkoxides occurs. This reaction is useful for the design of new Bronsted acids.

ARYLBIS (PERFLUOROALKYLSULFONYL) METHANE, METAL SALT OF THE SAME, AND PROCESSES FOR PRODUCING THESE

The present invention provides a method for producing various types of arylbis(perfluoroalkylsulfonyl)methane having a bulky aryl group and an electron-accepting aryl group in which synthesis was conventionally considered to be difficult, at high efficiency; a novel arylbis(perfluoroalkylsulfonyl)methane that can be widely applied to asymmertric catalyst, various types of functional materials and the like; and a metallic salt thereof. In addition, excellent catalysts are also provided. An aryl halomethane is reacted with a sodium trifluoromethane sulfinate, the arylmethyl triflone produced thereby is reacted with a t-BuLi and the like, the lithium salt of the arylmethyl triflone obtained is reacted with a trifluoromethane sulfonic acid anhydride, and an arylbis(trifluoromethylsulfony)methane such as pentafluorophenylbis(triflyl)methane, {4-(pentafluorophenyl)-2,3,5,6-tetrafluorophenyl}bis(triflyl)methane and the like are obtained at a high yield.