86878-59-3

Basic information

• Product Name: dithiobenzoate de benzyl trimethyl ammonium
• Synonyms: dithiobenzoate de benzyl trimethyl ammonium
• CAS NO: 86878-59-3
• Molecular Weight: 303.492
• Mol File: 86878-59-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: dithiobenzoate de benzyl trimethyl ammonium(CAS DataBase Reference)
• NIST Chemistry Reference: dithiobenzoate de benzyl trimethyl ammonium(86878-59-3)
• EPA Substance Registry System: dithiobenzoate de benzyl trimethyl ammonium(86878-59-3)

Safety Data

• Hazardous Substances Data: 86878-59-3(Hazardous Substances Data)

Upstream product

• 121-68-6 dithiobenzoic acid 
• 100-85-6 N-benzyl-trimethylammonium hydroxide 

Downstream Products

• 105247-54-9 dithiobenzoate d'hydroxy-2 methyl-2 propyle 
• 105247-55-0 dithiobenzoate d'hydroxy-2 butyle 
• 105247-53-8 dithiobenzoate d'hydroxy-2 propyle 
• 105247-49-2 Dithiobenzoesaeure-(3-chlorpropyl)ester 
• 89333-28-8 bis dithiobenzoate d'ethylene-1,2 
• 105247-50-5 Dithiobenzoesaeure-(2-chlorethyl)ester 
• 105247-41-4 dithiobenzoate d'hydroxy-4 butyle 
• 105247-42-5 bis dithiobenzoate de methylene 
• 105247-51-6 dithiobenzoate de chloromethyle 
• 105247-58-3 dithiobenzoate d'hydroxy-2 phenyl-1 ethyle 
• 105247-56-1 dithiobenzoate d'hydroxy-2 phenyl-2 ethyle 
• 105247-52-7 dithiobenzoate d'hydroxy-2 ethyle 

Relevant articles and documents

Mechanisms and rates of proton transfer to coordinated carboxydithioates: Studies on [Ni(S2CR){PhP(CH2CH2PPh2)2}]+ (R = Me, Et, Bun or Ph)

The complexes [Ni(S2CR)(triphos)]BPh4 (R = Me, Et, Bun or Ph; triphos = PhP{CH2CH2PPh2}2) have been prepared and characterised. X-ray crystallography (for R = Et, Ph, C6H4Me-4, C6H4OMe-4 and C6H4Cl-4) shows that the geometry of the five-coordinate nickel in the cation is best described as distorted trigonal bipyramidal, containing a bidentate carboxydithioate ligand with the two sulfur atoms spanning axial and equatorial sites, the other axial site being occupied by the central phosphorus of triphos. The reactions of [Ni(S2CR)(triphos)]+ with mixtures of HCl and Cl- in MeCN to form equilibrium solutions containing [Ni(SH(S)CR)(triphos)]2+ have been studied using stopped-flow spectrophotometry. The kinetics show that proton transfer is slower than the diffusion-controlled limit and involves at least two coupled equilibria. The first step involves the rapid association between [Ni(S2CR)(triphos)]+ and HCl to form the hydrogen-bonded precursor, {[Ni(S2CR)(triphos)]+...HCl} (KR1) and this is followed by the intramolecular proton transfer (kR2) to produce [Ni(SH(S)CR)(triphos)]2+. In the reaction of [Ni(S2CMe)(triphos)]+ the rate law is consistent with the carboxydithioate ligand undergoing chelate ring-opening after protonation. It seems likely that chelate ring-opening occurs for all [Ni(S2CR)(triphos)]+, but only with [Ni(S2CMe)(triphos)]+ is the protonation step sufficiently fast that chelate ring-opening is rate-limiting. With all other systems, proton transfer is rate-limiting. DFT calculations indicate that protonation can occur at either sulfur atom, but only protonation at the equatorial sulfur results in chelate ring-opening. The ways in which protonation of either sulfur atom complicates the analyses and interpretation of the kinetics are discussed. This journal is