113981-42-3

Basic information

• Product Name: Phenol, 2,6-difluoro-, sodium salt
• CAS NO: 113981-42-3
• Molecular Formula: C6H4F2O.Na
• Molecular Weight: 152.076
• Mol File: 113981-42-3.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Phenol, 2,6-difluoro-, sodium salt(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 2,6-difluoro-, sodium salt(113981-42-3)
• EPA Substance Registry System: Phenol, 2,6-difluoro-, sodium salt(113981-42-3)

Safety Data

• Hazardous Substances Data: 113981-42-3(Hazardous Substances Data)

Upstream product

• 820220-75-5 2,6-difluorophenyl phenyl sulfate 
• 28177-48-2 2,6-difluorophenol 

Downstream Products

• 113965-61-0 1-(2,6-difluorophenoxy)-4-nitrobenzene 
• 154789-03-4 [(η3-allyl)(μ-2,6-difluorophenoxide)nickel]2 
• 363-52-0 3-fluorocatechol 

Relevant articles and documents

A mechanistic study of the alkaline hydrolysis of diaryl sulfate diesters

Nearly all of the reported studies of reactions of sulfate diesters are for dialkyl or alkyl aryl diesters, which undergo reaction by carbon-oxygen bond fission. Sulfuryl transfer reactions of sulfate diesters (RO-SO 2-OR′) proceeding by attack at sulfur have been little explored. When both ester groups are aryl groups the hydrolysis reaction (sulfuryl transfer to water) occurs by way of attack at sulfur. The alkaline hydrolysis of diaryl sulfate diesters was shown to obey first-order kinetics with respect to [-OH] and proceed through S-O bond fission, in a mechanism that is most likely concerted. Activation parameters for 4-chloro-3-nitrophenyl phenyl sulfate and 4-nitrophenyl phenyl sulfate gave the following respective values: ΔH? = 88.0 ± 0.1 and 84.83 ± 0.06 kJ mol-1 and ΔS? = -37 ± 1 and -50.2 ± 0.5 J mol-1 deg-1. The dependence of the second-order rate constant for hydrolysis on leaving group pKa was analyzed giving a β1g slope of -0.7 ± 0.2 and a Leffler α parameter value of 0.36. A 15k kinetic isotope effect (KIE) for the hydroxide attack on 4-nitrophenyl phenyl sulfate of 1.0000 ±0.0005 and an 18k1g KIE value of 1.003±0.002 were obtained.

A NOVEL, SIMPLE METHOD FOR THE PREPARATION OF HINDERED DIPHENYL ETHERS

The displacement of the nitro group from substituted nitrobenzenes is used for the synthesis of diphenyl ethers. 1,4-Dinitrobenzene has been converted into a variety of hindered diphenyl ethers using 2,6-disubstituted phenoxides and studies show that the mechanism of formation of the ether (5a) is radical in nature.