Category: chlorides-buliding-blocks

Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 1. Database Development and Analysis was written by Williams, Tova N.;Kuenemann, Melaine A.;Van Den Driessche, George A.;Williams, Antony J.;Fourches, Denis;Freeman, Harold S.. And the article was included in ACS Sustainable Chemistry & Engineering in 2018.SDS of cas: 95-88-5 The following contents are mentioned in the article:

Herein, we report on the initial step of the design process of new hair dyes with the desired properties. The first step is dedicated to the development of the largest, publicly available database of hair dye substances (containing temporary and semipermanent hair dyes as well as permanent hair dye precursors) used in com. hair dye formulations. The database was utilized to perform a cheminformatics study assessing the computed physicochem. properties of the different hair dye substances, especially within each cluster of structurally similar dyes. The various substances could be differentiated based on their average mol. weight, hydrophobicity, topol. polar surface area, and number of hydrogen bond acceptors, with some overlap also observed In particular, we found that dyes such as C.I. Basic Orange 1 and 2 were clustered among the precursors, suggesting that their diffusion behavior is similar to that of permanent hair dye precursors. We anticipate taking advantage of this interesting knowledge in the second design phase of our investigation. As a step in that direction, we used QSAR models and noted that 65% of the substances were predicted to be mutagenic (22 with confidence thresholds >90%), whereas 79% were predicted to be skin sensitizers (37 with confidence thresholds >90%). We discuss the relevance of these preliminary calculations in view of literature-extracted exptl. data. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5SDS of cas: 95-88-5).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.SDS of cas: 95-88-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Enhanced removal of Cr(VI) by polymer inclusion membrane based on poly(vinylidene fluoride) and Aliquat 336 was written by Sellami, Ferhat;Kebiche-Senhadji, Ounissa;Marais, Stephane;Colasse, Laurent;Fatyeyeva, Kateryna. And the article was included in Separation and Purification Technology in 2020.Application In Synthesis of N-Methyl-N,N-dioctyloctan-1-aminium chloride The following contents are mentioned in the article:

New polymer inclusion membranes (PIMs) based on poly(vinylidene fluoride) (PVDF) (polymer matrix), tricaprylmethylammonium chloride (Aliquat 336) (ion carrier) and 2-nitrophenyloctylether (2NPOE) (plasticizer) were successfully elaborated by casting evaporation method and used in selectively facilitated transport of Cr(VI) ions in an acidic aqueous medium. Obtained PIMs are dense and homogeneous and are characterized by intermol. interactions of the membrane components (i.e. polymer matrix, ion carrier and plasticizer). The presence of ion carrier and plasticizer enhances the membrane flexibility and its hydrophilic character. The decrease of the PVDF m.p. is ascribed to the strong electrostatic interactions between liquid compounds (i.e. ion carrier and plasticizer) and polymer chains. PVDF-based PIM with only 20 wt% of Aliquat 336 ensures almost complete transport of Cr(VI) ions from the donor to acceptor phase. Moreover, the addition of 5 wt% of plasticizer significantly increases the transport flux. Also, Cr(VI) ions are selectively recovered (∼97%) from a mixture containing other heavy metal ions (Cd(II), Pb(II), Fe(III), Zn(II), Cu(II), Ni(II), Co(II)) with such PIM. Elaborated PVDF-based PIMs reveal improved transport properties compared to other polymer-based PIMs, exhibiting high stability (more than 190 h) and lifetime durability and so they are suitable for long term application. This study involved multiple reactions and reactants, such as N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3Application In Synthesis of N-Methyl-N,N-dioctyloctan-1-aminium chloride).

N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Application In Synthesis of N-Methyl-N,N-dioctyloctan-1-aminium chloride

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Simple ammonium salts acting on sigma-1 receptors yield potential treatments for cancer and depression was written by Brimson, James M.;Akula, Kiran K.;Abbas, Haider;Ferry, David R.;Kulkarni, Shrinivas K.;Russell, Steven T.;Tisdale, Michael J.;Tencomnao, Tewin;Safrany, Stephen T.. And the article was included in Scientific Reports in 2020.SDS of cas: 5137-55-3 The following contents are mentioned in the article:

Sigma-1 and sigma-2 receptors are emerging therapeutic targets. We have identified that simple ammonium salts bind to these receptors and are effective in vivo. MTS assays were performed to determine their effect on growth in MCF7 and MDA-MB-486 cells. Anticancer properties were tested in NMRI mice transplanted with a fragment of mouse adenocarcinoma (MAC13). Antidepressant activity was tested using the forced-swim test and tail suspension tests. Dipentylammonium (K_i 43 nM), tripentylammonium (K_i 15 nM) and trihexylammonium (K_i 9 nM) showed high affinity for the sigma-1 receptor. Dioctanoylammonium had the highest affinity (K₅₀ 0.05 nM); this also showed the highest affinity for sigma-2 receptors (K_i 13 nM). Dipentylammonium was found to have antidepressant activity in vivo. Branched-chain ammonium salts showed lower affinity. Bis(2-ethylhexyl)ammonium (K₅₀ 29μM), triisopentylammonium (K₅₀ 196μM) and dioctanoylammonium showed a low Hill slope, and fitted a 2-site binding model for the sigma-1 receptor. We propose this two-site binding can be used to biochem. define a sigma-1 receptor antagonist. Bis(2-ethylhexyl)ammonium and triisopentylammonium were able to inhibit the growth of tumors in vivo. Cheap, simple ammonium salts act as sigma-1 receptor agonists and antagonists in vivo and require further investigation. This study involved multiple reactions and reactants, such as N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3SDS of cas: 5137-55-3).

N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.SDS of cas: 5137-55-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Porous aromatic frameworks with high Pd nanoparticles loading as efficient catalysts for the Suzuki coupling reaction was written by You, Bingxin;Tian, Yuyang;Wang, Baolin;Zhu, Guangshan. And the article was included in Journal of Colloid and Interface Science in 2022.Electric Literature of Cl4Na2Pd The following contents are mentioned in the article:

The development of efficient and recyclable heterogeneous Pd catalysts is an area of continuing attention due to their critical applications in organic synthesis and pharmaceutical production In this study, two novel heterogeneous catalysts Pd@PAF-182 and Pd@PAF-183 were prepared by the immobilization/NaBH4 reduction of PdCl2-4 on hydrophilic cationic porous aromatic frameworks (PAF-182 and PAF-183), which were synthesized via a Yamamoto-type Ullmann coupling reaction from the corresponding aryl quaternary phosphonium salt monomer. Characterization by powder X-ray diffraction (PXRD), solid-state Cross-Polarization Magic-Angle-Spinning NMR (CP/MAS NMR), XPS, SEM, and transmission electron microscopy (TEM) established the structures of the as-prepared catalysts. Inductively coupled plasma at. emission spectrometry (ICP-AES) detection showed that the loading of Pd nanoparticles (Pd NPs) were 29.4 wt% for Pd@PAF-182 and 37.5 wt% for Pd@PAF-183, much higher than those of similar porous materials. Evaluation of the catalytic activity of the Pd@PAFs using Suzuki coupling as the model reaction demonstrated that as little as 0.12 mol% of Pd NPs could catalyze the Suzuki coupling with high efficiency, achieving yields up to 99% at 80 °C in 8 h. Recycling experiments also suggested that Pd@PAF-182 and Pd@PAF-183 maintained high catalytic activity with negligible leaching of Pd NPs after five cycles. This study involved multiple reactions and reactants, such as Sodium tetrachloropalladate(II) (cas: 13820-53-6Electric Literature of Cl4Na2Pd).

Sodium tetrachloropalladate(II) (cas: 13820-53-6) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Electric Literature of Cl4Na2Pd

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Cation selectivity of activated carbon and nickel hexacyanoferrate electrode materials in capacitive deionization: A comparison study was written by Chen, Tsai-Hsuan;Cuong, Dinh Viet;Jang, Yunjai;Khu, Ngee-Zhen;Chung, Eunhyea;Hou, Chia-Hung. And the article was included in Chemosphere in 2022.Formula: ClLi The following contents are mentioned in the article:

In this study, the electrosorption selectivity of porous activated carbon (AC) and nickel hexacyanoferrate (NiHCF), which represent two working mechanisms of capacitive electrosorption and redox intercalation, was investigated to sep. cations in capacitive deionization (CDI). The cyclic voltammetry diagrams of AC showed the rectangular shape of double-layer charging, while that of NiHCF showed separated peaks associated with redox reactions. The specific capacitance of NiHCF was 143.6 F/g in 1 M NaCl, which was almost two times higher than that of AC. Cation selectivity experiments were conducted in single-pass CDI for a multi-cation solution The electrosorption preference of the AC cathode was determined by a counterbalance between the ionic charge and hydrated size, reflecting the selectivity coefficient of different cations over Na⁺ in the range of 0.86-2.63. For the NiHCF cathode, the cation selectivity was mainly dominated by the hydrated radius and redox activity. Notably, high selectivities of K⁺/Na⁺ ≈ 3.57, Na⁺/Ca²⁺ ≈ 9.97, and Na⁺/Mg²⁺ ≈ 18.92 were obtained. A significant improvement in the electrosorption capacity and monovalent ion selectivity can be achieved by utilizing the NiHCF electrode. The study demonstrates the fundamental aspects and promising opportunities of CDI in regard to ion selectivity. This study involved multiple reactions and reactants, such as Lithium chloride (cas: 7447-41-8Formula: ClLi).

Lithium chloride (cas: 7447-41-8) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Formula: ClLi

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Emulsion ionic liquid membrane using edible paraffin oil for lead removal from aqueous solutions was written by Khadivi, Miaad;Javanbakht, Vahid. And the article was included in Journal of Molecular Liquids in 2020.Product Details of 5137-55-3 The following contents are mentioned in the article:

For a variety of reasons, such as high selectivity, easy control, easy reduction, and environmental compatibility, there is the high potential for the use of emulsion ionic liquid membranes (EILM) has been expanded. The edible oils have great potential for using in food industry extraction processes. Edible paraffin used for this purpose is less toxic and more cost-effective than other membranes. The technique of EILM based on edible oils was used as a chem. process for Pb²⁺ recovery from aqueous solution, using Aliquat 336 as an ionic liquid carrier and the ionic transport agent for Pb2+ ions in the membrane phase. The Tween 80 as a dispersive non-ionic surfactant was used for the emulsion formation. The kinetics and effective parameters on the membrane process performance were investigated. The results showed that factors such as the ratio of the internal phase to the organic phase, the concentration of ion carrier material, the surfactant concentration, and pH increasing had a pos. effect on metal separation efficiency. The maximum lead separation was performed for 3 and 10μL of Aliquat 336 and Tween 80, resp., in 20 mL of the organic phase. A removal percentage of 95% was achieved for 5 mg/L of lead in the feed phase. Using edible oil in this study was successfully developed to reduce the need for toxic organic solvents in preparing EILM for heavy metal solution treatment. This study involved multiple reactions and reactants, such as N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3Product Details of 5137-55-3).

N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Product Details of 5137-55-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

The Influence of Ionic Liquids Adsorption on the Electronic and Optical Properties of Phosphorene and Arsenene with Different Phases: A Computational Study was written by Zhu, Lin;Fu, Aiping. And the article was included in Molecules in 2022.Application of 75-57-0 The following contents are mentioned in the article:

D. functional theory (DFT) calculations have been performed to investigate the interfacial interactions of ionic liquids (ILs) on the α- and β-phases of phosphorene (P) and arsenene (As). Nine representative ILs based on the combinations of 1-ethyl-3-methylimidazolium ([EMIM]⁺), N-methylpyridinium ([MPI]⁺), and trimethylamine ([TMA]⁺) cations paired to tetrafluoroborate ([BF4]^–), trifluoromethanesulfonate ([TFO]^–), and chloridion (Cl^–) anions were used as adsorbates on the 2D P and As nanosheets with different phases to explore the effect of IL adsorption on the electronic and optical properties of 2D materials. The calculated structure, adsorption energy, and charge transfer suggest that the interaction between ILs and P and As nanosheets is dominated by noncovalent forces, and the most stable adsorption structures are characterized by the simultaneous interaction of the cation and anion with the surface, irresp. of the types of ILs and surfaces. Furthermore, the IL adsorption leads to the larger change in the electronic properties of β-phase P and As than those of their α-phase counterparts, which demonstrates that the adsorption properties are not only related to the chem. elements, but also closely related to the phase structures. The present results provide insight into the further applications of ILs and phosphorene (arsenene) hybrid materials. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Application of 75-57-0).

Tetramethylammonium chloride (cas: 75-57-0) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Application of 75-57-0

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Decomposition Kinetics of H₂O₂ on Pd Nanocrystals with Different Shapes and Surface Strains was written by Shi, Yifeng;Elnabawy, Ahmed O.;Gilroy, Kyle D.;Hood, Zachary D.;Chen, Ruhui;Wang, Chenxiao;Mavrikakis, Manos;Xia, Younan. And the article was included in ChemCatChem in 2022.Related Products of 13820-53-6 The following contents are mentioned in the article:

Direct synthesis of hydrogen peroxide (H₂O₂) from H₂ and O₂ on a Pd-based catalyst has emerged as a promising route to replace the energy-consuming, highly inefficient anthraquinone process. However, Pd is also a good catalyst for the decomposition of H₂O₂, thereby compromising the selectivity toward the desired product. The coupling between the formation and decomposition reactions makes it difficult to single out the most important parameter that controls the selectivity toward direct synthesis of H₂O₂. Herein, support-free monometallic Pd nanocrystals with different shapes and surface strains are used to investigate their impacts on the decomposition kinetics of H₂O₂. The kinetics are analyzed by tracking the concentration of the remaining H₂O₂ using IR spectroscopy. The data indicates that both surface structure and strain affect the decomposition kinetics of H₂O₂, but their impacts are inferior to that caused by Br-, a surface capping agent for the Pd{100} facets. The exptl. results are consistent with the trend obtained through d. functional theory calculations This work helps shed light on the development of Pd-based catalysts for the direct synthesis of H₂O₂ by offering strategies to mitigate the decomposition of the desired product. This study involved multiple reactions and reactants, such as Sodium tetrachloropalladate(II) (cas: 13820-53-6Related Products of 13820-53-6).

Sodium tetrachloropalladate(II) (cas: 13820-53-6) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Related Products of 13820-53-6

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthesis of Fe3O4 nanoparticles @Trioctylmethylammonium thiosalicylat (TOMATS) as a new magnetic nanoadsorbent for adsorption of ciprofloxacin in aqueous solution was written by Kasraei, Ruhollah;Malakootian, Mohammad;Mohamadi, Maryam. And the article was included in Zeitschrift fuer Physikalische Chemie (Berlin, Germany) in 2021.Formula: C25H54ClN The following contents are mentioned in the article:

The aim of this research was to investigate ciprofloxacin (CIP) removal efficiency from aqueous solutions by using Fe₃O₄ nanoparticles @Trioctylmethylammonium thiosalicylat Ionic liquid (Fe₃O₄ NP@ TOMATS IL) as a new magnetic nanoadsorbent. The adsorbent was characterized by field emission scanning electron microscope-energy dispersive spectroscopy (FESEM-EDS), mapping, Fourier transform IR spectroscopy (FT-IR), the Brunauer-Emmett-Teller (BET), X-ray powder diffraction (XRD). The effects of solution pH, adsorbent dose, contact time, initial CIP concentration, and temperature on CIP removal were also investigated. In optimal conditions such as pH = 5.6, CIP concentration = 30 mg/L, adsorbent dose = 0.15 g, temperature = 30°C, contact time = 90 min, the removal efficiency in synthetic and real wastewater were obtained 87 and 73%, resp. Batch experiments were carried out to study the sorption Kinetics, thermodn., and equilibrium isotherms of CIP with magnetic nanoadsorbent. The results show that all of the above factors influence CIP removal. The Langmuir adsorption isotherm fits the adsorption process well, with the pseudo second-order model describing the adsorption kinetics accurately. The thermodn. parameters indicate that adsorption is mainly phys. adsorption. Recycling experiments revealed that the behavior of adsorbent is maintained after recycling for four times. This study involved multiple reactions and reactants, such as N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3Formula: C25H54ClN).

N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Formula: C25H54ClN

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Evaluation of mixed micellar interactions of C_nBCl and SDBS mixtures using dissociated Margules model and influence of different salts was written by Sood, Ashwani Kumar;Sethi, Omish;Aggarwal, Meenu. And the article was included in Journal of Surfactants and Detergents.Electric Literature of C25H46ClN The following contents are mentioned in the article:

The conductivity measurement has been used to determine the first and second CMC′s (CMC₁ and CMC₂) of alkyldimethylbenzylammonium chloride (C_nBCl; n = 12, 14 and 16) as well as gemini surfactant trimethylene-1,2-bis-(dodecyldimethylammonium bromide) (12-2-12) with sodium dodecylbenzenesulfonate (SDBS) in aqueous solutions using Rubing′s the regular theory approximation as well as the dissociated Margules Model. The use of Margules model allows us to calculate activity coefficients of the constituents and hence provides better values of micellar parameters for asym. mixed systems as compared to the regular solution theory. The CMC1 values for C_nBCl/SDBS mixtures were seen to be lower than those predicted from their ideal mixtures suggesting synergistic interactions although the synergism increases with chain length (n) of the cationic surfactant. Both CMC₁ and CMC₂ experience a decrease with rising values of n. The addition of salts including NaCl, KCl, NaBr, Na₃PO₄, and Na₂SO₄ in mixtures of C16BCl and SDBS suggests that salt counterions have a considerable impact on CMC1 when either surfactant is in excess. Zeta potential (ζ) measurements provide more evidence in favor of these observations. The thermodn. features of micellization have also been scrutinized using isothermal titration calorimetry (ITC). This study involved multiple reactions and reactants, such as N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9Electric Literature of C25H46ClN).

N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Electric Literature of C25H46ClN

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics