72611-60-0

Basic information

• Product Name: C₈H₆F₃^(1-)
• CAS NO: 72611-60-0
• Molecular Weight: 159.131
• Mol File: 72611-60-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₈H₆F₃^(1-)(CAS DataBase Reference)
• NIST Chemistry Reference: C₈H₆F₃^(1-)(72611-60-0)
• EPA Substance Registry System: C₈H₆F₃^(1-)(72611-60-0)

Safety Data

• Hazardous Substances Data: 72611-60-0(Hazardous Substances Data)

Upstream product

• 401-79-6 1-methyl-3-trifluoromethyl-benzene 
• 18860-15-6 phenylmethanide 

Downstream Products

• 39153-79-2 α-Deutero-m-trifluormethyltoluol 

Relevant articles and documents

Gas-Phase Proton Transfer from Toluenes to Benzyl Anions

Gas-phase proton-transfer kinetics of PhCH2(1-) + ArCH3 -> ArCH2(1-) + PhCH3 were studied for reactions having ΔH0rxn = 0 to -20 kcal/mol.These reactions are very slow in the absence of thermodynamic driving force; their reaction efficiencies range from 0.004 to 0.7.RRKM theory was applied to obtain energy differences between the proton-transfer transition state and the loose orbiting transition state from reaction efficiencies.Marcus theory provides a general model for a rate-equilibrium relationship with a constant intrinsic energy barrier of 7 kcal/mol forthe degenerate proton transfer from toluene to benzyl anion.The barrier is inferred from an RRKM fit to the energy difference of -5 kcal/mol between the proton-transfer transition state and the energy of the reactants and an estimated -12 kcal/mol for the energy of the collision complex relative to the reactants.In the reaction involving 3-nitrotoluene, electron transfer, which is some 11-12 kcal/mol less favorable than proton transfer, dominates almost exclusively.