79-98-1

Upstream product

• 95-57-8 2-monochlorophenol 
• 67-64-1 acetone 
• 80-05-7 BPA 

Relevant academic research and scientific papers

Electrochemical degradation of bisphenol A in chloride electrolyte—Factor analysis and mechanisms study

Electrochemical oxidation technology is a powerful method in the degradation of recalcitrant organics, due to the high oxidizing ability of active chlorine and reactive oxygen species generated in the cell. However, influencing factor analysis and intermediates detection during the electrochemical removal of organics has not been extensively studied in the chloride electrolyte. In this study, an orthogonal test array design of L16(4)3 was carried on with Pt anode in NaCl electrolyte, using the typical endocrine disruptor bisphenol A (BPA) as the model pollutant. The influencing order of the three main factors for BPA degradation rate was current density?>?initial organic concentration?>?chloride concentration, based on the analysis of variance in this experiment. This emphasized the very significance of the active chlorine and hydroxyl radicals which were closely related with the potential of the system and the applied current density. Then both organic and inorganic Cl-byproducts were determined. The concentration of chloride decreased to 9.88?mM with an initial of 10?mM in the 480-min electrolysis and extremely low concentration of active chlorine was produced in this system (maximized at 0.037?mM) for the first set. Neither chlorate nor perchlorate was detected with the Pt anode. The factor of current density influenced greatest on the formation of chloroform due to the amount of active chlorine affected by the current density. Finally, intermediates generated in the electrolysis cell were concretely investigated. Compared with traditional chlorination, the amount of chlorinated-BPA (2, 2′-D2CBPA and T4CBPA) generated was relatively less (2.46 and 10.00?μM equiv BPA), which might be due to their fast simultaneously transformation in the electrochemical system. With the isopropylidene bridge cleavage of chlorinated-BPA, one-ring aromatic compounds (2,6-dichlorophenol, 2,6-dichloro-2,5-cyclohexadiene, 2,4,6-trichlorophenol) occurred at the same time. Finally, chlorinated-BPA was totally transformed and low molecular chlorinated compounds were detected to the end of the experiment. This is one of the very few studies dealing with chlorinated organic intermediates formed in chloride electrolyte, and thus these findings may have significant technical implications for electrochemical treatment of wastewater containing BPA.

Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma

A xenoestrogen and known endocrine disruptor, bisphenol A (BPA) binds the human estrogen-related receptor-gamma (ERRγ) with high affinity (Kd≈5.5nM). It is likely that BPA undergoes oxidative biotransformation by hypochlorite/hypochlorous acid (-OCl/HOCl) and peroxynitrite (PN) and the products formed in these reactions may serve as secondary estrogens and contribute to the toxicodynamics of BPA. Therefore, in the present study we have examined the formation of chlorinated and nitrated BPA in reactions of BPA with -OCl/HOCl and PN(+CO2) performed around the neutral pH. We have identified four major products in these reactions and they include 3-chloro-BPA (CBPA), 3,3'-dichloro-BPA (DCBPA), 3-nitro-BPA (NBPA) and 3,3'-dinitro-BPA (DNBPA). Towards understanding the toxicodynamics and estrogenic activity of BPA in biological systems, we have performed molecular docking of BPA, CBPA, DCBPA, DNBPA and NBPA onto the ERRγ using AutoDock 4.2 software and compared the binding energies with those of estradiol, the natural ligand. Based on the genetic algorithm, the three best conformations were selected and averaged for each ligand and a detailed analysis of molecular interactions based on free energies of binding (kcal/mol) was computed. The results indicate the following rank order of binding to ERRγ: BPA (-8.78±0.06)>CBPA (-8.53±0.41)>NBPA (-7.36±0.74)>DCBPA (-5.24±0.17)>DNBPA (-4.95±0.78)>estradiol (-4.94±1.04). The docking studies revealed that the OH group of one of the phenyl rings forms a hydrogen bond with Glu275/Arg316, while the OH group of other phenyl ring was bound to Asp346. These results suggest that both BPA and its putative chlorinated and nitrated metabolites have strong binding affinity compared to estradiol.

Thermosensitive recording material and color developer compound therefor

A thermosensitive recording material has a support and a thermosensitive coloring layer formed thereon containing a leuco dye and a color developer capable of inducing color formation in the leuco dye upon application of heat thereto, with the color developer including at least one compound (A) having in a molecule thereof at least two aromatic ring moieties with specific structures, selected from the group consisting of an aromatic ring moiety having at least one carboxyl group and electron-attracting functional group, an aromatic ring moiety having at least one carboxyl group and electron-donating functional group, and an aromatic ring moiety having at least one carboxyl group, free of the electron-attracting and electron-donating functional groups. An aromatic carboxylic acid compound serving as the above-mentioned compound (A) and the producing method thereof are also disclosed.

Flame retardant thermoplastic resin composition

The present invention relates to a flame retardant thermoplastic resin composition that comprises a polycarbonate resin, a rubber modified graft copolymer, a styrene-containing copolymer, an oligomeric phosphoric acid ester morpholide compound as a flame retardant and a fluorinated polyolefin resin. The present invention relates to a polycarbonate thermoplastic resin composition which is superior to the resin composition using oligomeric phosphorus ester in flame retardancy, heat resistance and flexural modulus and superior to the resin composition using monophosphorus ester in the resistance for juicing, heat stability, heat resistance, flexural modulus and appearance.

Identification and quantification of chlorinated bisphenol A in wastewater from wastepaper recycling plants

Chlorinated derivatives of bisphenol A were detected in the final effluents of eight paper manufacturing plants in Shizuoka, Japan, where thermal paper and/or other printed paper is used as the raw material. Their amounts were determined by gas chromatography/mass spectrometry (GC/MS) after treatment with N, O-bis(trimethylsilyl) trifluoroacetamide, and ranged from traces to 2.0 μg/1. They are likely produced by chlorination of bisphenol A, which was released into the effluents from the pulping process of wastepaper, during or after bleaching with chlorine.

Salicylic acid derivatives

The heat-sensitive recording material disclosed comprises a colorless or pale colored dyestuff precursor, one or more salicylic acid derivative of the formula (1) or metal salt of the derivative and an aliphatic amide compound having 18?60 carbon atoms in molecular structure, and is excellent in thermal response and preservation stability of white portions and images. STR1 wherein X1 and X2 are a hydrogen atom, a halogen atom, an alkyl group, an alkoxy group, an aralkyl group or an aryl group, Y1 and Y2 are an oxygen atom or a sulfur atom, R1 is a hydrogen atom, an alkyl group, an aralkyl group or an aryl group, and R2 is an alkyl group, an alkenyl group, an aralkyl group or an aryl group.

Processes for producing aromatic polycarbonate oligomer and aromatic polycarbonate

A process for producing continuously an aromatic polycarbonate oligomer by reacting an aromatic dihydroxy compound and an alkali metal base or an alkaline earth metal base with a carbonyl halide compound comprises: (1) feeding continuously to a tank reactor an aromatic dihydroxy compound, water, a molecular weight controlling agent, a polymerization catalyst, a carbonyl halide compound, and an organic solvent, and an alkali metal base or an alkaline earth metal base in an amount of 1.15-1.6 equivalents based on the aromatic dihydroxy compound, (2) carrying out the reaction with a residence time as defined by the following formula, where X is an amount of the polymerization catalyst in terms of mole % based on the amount of mole of the aromatic dihydroxy compound fed per unit time, and Y is a residence time (min.), and (3) continuously withdrawing the reaction mixture from the tank reactor to obtain an aromatic polycarbonate oligomer having a number average molecular weight of 1,000-10,000. An aromatic polycarbonate is produced by polycondensation of the aromatic polycarbonate oligomer.

Phenolic compounds

A phenolic compound having formula (I): STR1 wherein X represents a chlorine atom or a methyl group, and a recording material comprising a coloress or light-colored leuco dye and the above phenolic compound serving as a color developer for the leuco dye are disclosed.