85459-26-3

Basic information

• Product Name: C₈H₆ClF₃O₃S
• Synonyms: C₈H₆ClF₃O₃S
• CAS NO: 85459-26-3
• Molecular Weight: 274.648
• Mol File: 85459-26-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₈H₆ClF₃O₃S(CAS DataBase Reference)
• NIST Chemistry Reference: C₈H₆ClF₃O₃S(85459-26-3)
• EPA Substance Registry System: C₈H₆ClF₃O₃S(85459-26-3)

Safety Data

• Hazardous Substances Data: 85459-26-3(Hazardous Substances Data)

Upstream product

• 75-89-8 2,2,2-trifluoroethanol 
• 98-60-2 4-chlorobenzenesulfonyl chloride 

Relevant articles and documents

The SN3-SN2 spectrum. Rate constants and product selectivities for solvolyses of benzenesulfonyl chlorides in aqueous alcohols

Rate constants for a wide range of binary aqueous mixtures and product selectivities (S) in ethanol - Water (EW) and methanol-water (MW) mixtures, are reported at 25 °C for solvolyses of benzenesulfonyl chloride and the 4-chloro - Derivative. S is defined as follows using molar concentrations: S =([ester product]/[acid product]) × ([water solvent]/[alcohol solvent]). Additional selectivity data are reported for solvolyses of 4-Z-substituted sulfonyl chlorides (Z - OMe, Me, H, Cl and NO2) in 2, 2, 2-trifluoroethanol-water. To explain these results and previously published data on kinetic solvent isotope effects (KSIEs) and on other solvolyses of 4-nitro and 4-methoxybenzenesulfonyl chloride, a mechanistic spectrum involving a change from third order to second order is proposed. The molecularity of these reactions is discussed, along with new term 'SN3-SN2 spectrum' and its connection with the better established term 'S N2-SN1 spectrum'. Copyright