Liu, Junxin’s team published research in RSC Advances in 2020 | CAS: 583-69-7

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Reference of 2-Bromobenzene-1,4-diol In contrast, terrestrial plants account only for a few bromine-containing compounds.

In 2020,RSC Advances included an article by Liu, Junxin; Liu, Yongze; Tian, Yajun; Feng, Li; Zhang, Liqiu. Reference of 2-Bromobenzene-1,4-diol. The article was titled 《Comparison of the oxidation of halogenated phenols in UV/PDS and UV/H2O2 advanced oxidation processes》. The information in the text is summarized as follows:

UV/peroxydisulfate (PDS) and UV/hydrogen peroxide (H2O2) can effectively degrade halophenols (HPs, e.g., 2,4-bromophenol and 2,4,6-trichlorophenol); meanwhile, information about the discrepancies in the related degradation kinetics and mechanisms of these two processes is limited. To gain this knowledge, the degradation of two typical HPs (i.e., bromophenols and chlorophenols) in UV/PDS and UV/H2O2 processes were investigated and compared. The results showed that the degradation rates of HPs with different substitution positions in the UV/PDS process were in the order of para-substituted HPs (i.e., 4-BP and 4-CP) > ortho-substituted HPs (i.e., 2-BP and 2-CP) > meta-substituted HPs (i.e., 3-BP and 3-CP), while in the UV/H2O2 process, these rates were in the order of para-substituted HPs > meta-substituted HPs > ortho-substituted HPs. These discrepancies were ascribed to the different reaction activities of SO4 – and HO with HPs, which were calculated based on the competition method. Further d. functional theory (DFT) calculations suggested that SO4 – reacts more readily with HPs via electron transfer than HO . In the presence of water matrixes (such as Cl-, HCO3- and natural organic matter (NOM)), the degradation of 2-BP in both UV/PDS and UV/H2O2 treatment processes was inhibited due to the scavenging of free radicals by these background substances. The degradation products and pathways further confirmed that SO4- is a strong one-electron oxidant that reacts with HPs mainly via electron transfer, while HO reacts with HPs via electron transfer and hydroxyl addition The experimental process involved the reaction of 2-Bromobenzene-1,4-diol(cas: 583-69-7Reference of 2-Bromobenzene-1,4-diol)

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Reference of 2-Bromobenzene-1,4-diol In contrast, terrestrial plants account only for a few bromine-containing compounds.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

McRae, Callum’s team published research in Heart rhythm in 2019 | CAS: 583-69-7

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Computed Properties of C6H5BrO2 Alkyl bromides are mainly used as alkylating agents and also find application as a solvent to extract oil from seeds and wool.

Computed Properties of C6H5BrO2On March 27, 2019, McRae, Callum; Kapoor, Anshul; Kanda, Pushpinder; Hibbert, Benjamin; Davis, Darryl R published an article in Heart rhythm. The article was 《Systematic review of biological therapies for atrial fibrillation.》. The article mentions the following:

Biological therapies that increase or suppress the expression of transcripts underlying atrial fibrillation (AF) progression are increasingly being explored to create novel treatment paradigms beyond simply suppressing or destroying tissue. To date, there has been no systematic overview of the preclinical evidence exploring manipulation of fundamental biological principles in the treatment of AF. As such, the objective of this study was to establish the effect of biological approaches used in the treatment of AF within large and small animals. We performed a systematic search using predefined terms, which yielded 25 studies. We determined the effect of biological approaches on primary efficacy outcomes and assessed the quality of included studies or possible bias in the treatment of AF. Compared with non-transduced or transduced controls, biological therapies reduced AF inducibility (85% less AF; odds ratio 0.15; 95% confidence interval [CI] 0.07-0.35; P < .01) and atrial scar burden (6.7% smaller scars; 95% CI 4.2-9.2; P < .01) or increased number of days in sinus rhythm (6.4 more days in sinus rhythm; 95% CI 5.83-6.97; P < .01). Similar effects were seen in both large and small animals, while a minor tendency to higher risk of bias was observed in small animal studies. In conclusion, treatment with any biological therapy significantly improved AF in preclinical animal models compared with controls. Although biological therapies target markedly different fundamental mechanisms, we observed a consistent difference in their effect on AF outcomes. The results came from multiple reactions, including the reaction of 2-Bromobenzene-1,4-diol(cas: 583-69-7Computed Properties of C6H5BrO2)

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Computed Properties of C6H5BrO2 Alkyl bromides are mainly used as alkylating agents and also find application as a solvent to extract oil from seeds and wool.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Bugnola, Marco’s team published research in ACS Catalysis in 2020 | CAS: 583-69-7

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Formula: C6H5BrO2 Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides.

《Reductive Electrochemical Activation of Molecular Oxygen Catalyzed by an Iron-Tungstate Oxide Capsule: Reactivity Studies Consistent with Compound I Type Oxidants》 was written by Bugnola, Marco; Shen, Kaiji; Haviv, Eynat; Neumann, Ronny. Formula: C6H5BrO2 And the article was included in ACS Catalysis on April 3 ,2020. The article conveys some information:

The reductive activation of O2 catalyzed by Fe-based enzymes toward its use as an O donor is paradigmatic for O transfer reactions in nature. Mechanistic studies on these enzymes and related biomimetic coordination compounds designed to form reactive intermediates, almost invariably using various shunt pathways, showed that high-valent Fe(V)=O and the formally isoelectronic Fe(IV)=O porphyrin cation radical intermediates are often thought to be the active species in alkane and arene hydroxylation and alkene epoxidation reactions. Although this four decade long research effort has yielded a massive amount of spectroscopic data, reactivity studies, and a detailed, but still incomplete, mechanistic understanding, the actual reductive activation of O2 coupled with efficient catalytic transformations has rarely been exptl. studied. Recently, a completely inorganic Fe-W oxide capsule with a keplerate structure, noted as {Fe30W72}, is an effective electrocatalyst for the cathodic activation of O2 in H2O leading to the oxidation of light alkanes and alkenes. The present report deals with extensive reactivity studies of these {Fe30W72} electrocatalytic reactions showing (1) arene hydroxylation including kinetic isotope effects and migration of the ipso substituent to the adjacent C atom (NIH shift); (2) a high kinetic isotope effect for alkyl C-H bond activation; (3) dealkylation of alkylamines and alkylsulfides; (4) desaturation reactions; (5) retention of stereochem. in cis-alkene epoxidation; and (6) unusual regioselectivity in the oxidation of cyclic and acyclic ketones, alcs., and carboxylic acids where reactivity is not correlated to the bond disassocn. energy; the regioselectivity obtained is attributable to polar effects and/or entropic contributions. Collectively these results also support the conclusion that the active intermediate species formed in the catalytic cycle is consistent with a compound I type oxidant. The activity of {Fe30W72} in cathodic aerobic oxidation reactions shows it to be an inorganic functional analog of Fe-based monooxygenases. The experimental part of the paper was very detailed, including the reaction process of 2-Bromobenzene-1,4-diol(cas: 583-69-7Formula: C6H5BrO2)

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Formula: C6H5BrO2 Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Baudet, Karine’s team published research in Inorganic Chemistry in 2020 | CAS: 583-69-7

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Related Products of 583-69-7 Moreover, several studies demonstrate that the average proportion of bromine in drugs is significantly higher than that in natural products.

Baudet, Karine; Kale, Vishal; Mirzakhani, Mohsen; Babel, Lucille; Naseri, Soroush; Besnard, Celine; Nozary, Homayoun; Piguet, Claude published an article on January 6 ,2020. The article was titled 《Neutral Heteroleptic Lanthanide Complexes for Unravelling Host-Guest Assemblies in Organic Solvents: The Law of Mass Action Revisited》, and you may find the article in Inorganic Chemistry.Related Products of 583-69-7 The information in the text is summarized as follows:

The binding of lanthanide containers [Ln(β-diketonate)3dig] [dig = 1-methoxy-2-(2-methoxyethoxy)ethane] to aromatic tridentate N-donor ligands (L) in dichloromethane produces neutral nine-coordinate heteroleptic [LLn(β-diketonate)3] complexes, the equilibrium reaction quotients of which vary with the total concentrations of the reacting partners. This problematic drift prevents the determination of both reliable thermodn. stability constants and intrinsic host-guest affinities. The classical solution theory assigns this behavior to changes in the activity coefficients of the various partners in nonideal solutions, and a phenomenol. approach attempts to quant. attribute this effect to some partition of the solvent mols. between bulk-innocent and contact-noninnocent contributors to the chem. potential. This assumption eventually predicts an empirical linear dependence of the equilibrium reaction quotient on the concentration of the formed [LLn(β-diketonate)3] complexes, a trend exptl. supported in this contribution for various ligands L differing in lipophilicity and nuclearity and for lanthanide containers grafted with diverse β-diketonate coligands. Even if the origin of the latter linear dependence is still the subject of debate, this work demonstrates that this approach can be exploited by experimentalists for extracting reliable thermodn. constants suitable for analyzing and comparing host-guest affinities in organic solvents. In the experiment, the researchers used many compounds, for example, 2-Bromobenzene-1,4-diol(cas: 583-69-7Related Products of 583-69-7)

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Related Products of 583-69-7 Moreover, several studies demonstrate that the average proportion of bromine in drugs is significantly higher than that in natural products.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Tahmouresilerd, Babak’s team published research in Dalton Transactions in 2019 | CAS: 583-69-7

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Formula: C6H5BrO2 Moreover, several studies demonstrate that the average proportion of bromine in drugs is significantly higher than that in natural products.

《The impact of an isoreticular expansion strategy on the performance of iodine catalysts supported in multivariate zirconium and aluminum metal-organic frameworks》 was published in Dalton Transactions in 2019. These research results belong to Tahmouresilerd, Babak; Moody, Michael; Agogo, Louis; Cozzolino, Anthony F.. Formula: C6H5BrO2 The article mentions the following:

Iodine functionalized variants of DUT-5 (Al) and UiO-67 (Zr) were prepared as expanded-pore analogs of MIL-53 (Al) and UiO-67 (Zr). They were prepared using a combination of multivariate and isorecticular expansion strategies. Multivariate MOFs with a 25% iodine-containing linker was chosen to achieve an ideal balance between a high d. of catalytic sites and sufficient space for efficient diffusion. Changes to the oxidation potential of the catalyst as a result of the pore-expansion strategy led to a decrease in activity with electron rich substrates. On the other hand, these larger frameworks proved to be more efficient catalysts for substrates with higher oxidation potentials. Recyclability tests for these larger MOFs showed sustained catalytic activity over multiple recycles. In the experiment, the researchers used many compounds, for example, 2-Bromobenzene-1,4-diol(cas: 583-69-7Formula: C6H5BrO2)

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Formula: C6H5BrO2 Moreover, several studies demonstrate that the average proportion of bromine in drugs is significantly higher than that in natural products.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kim, Sanghun’s team published research in Journal of Organic Chemistry in 2019 | CAS: 583-69-7

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. HPLC of Formula: 583-69-7Some of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties.

HPLC of Formula: 583-69-7On March 1, 2019, Kim, Sanghun; Matsubara, Ryosuke; Hayashi, Masahiko published an article in Journal of Organic Chemistry. The article was 《Activated Carbon-Promoted Dehydrogenation of Hydroquinones to Benzoquinones, Naphthoquinones, and Anthraquinones under Molecular Oxygen Atmosphere》. The article mentions the following:

We found that the activated carbon-mol. oxygen system promotes the conversion of hydroquinones to benzoquinones, naphthoquinones, and anthraquinones, which are often found in natural products and pharmaceuticals. In particular, the one-pot synthesis of naphthoquinones and anthraquinones involving a Diels-Alder reaction is a useful protocol for this purpose. In the experiment, the researchers used many compounds, for example, 2-Bromobenzene-1,4-diol(cas: 583-69-7HPLC of Formula: 583-69-7)

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. HPLC of Formula: 583-69-7Some of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hahn, Daniel’s team published research in Macromolecular Rapid Communications in 2021 | CAS: 583-69-7

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Due to the reactivity of bromide, they are used as potential precursors or important intermediates in organic synthesis. Computed Properties of C6H5BrO2

Computed Properties of C6H5BrO2On May 1, 2021 ,《A Practical and Efficient Synthesis of Uniform Conjugated Rod-Like Oligomers》 appeared in Macromolecular Rapid Communications. The author of the article were Hahn, Daniel; Schneider, Rebekka V.; Foitzik, Elena; Meier, Michael A. R.. The article conveys some information:

Herein, a more practical and efficient synthesis protocol for the preparation of uniform rod-like oligo(1,4-phenylene ethynylene)s (OPE)s is presented. Applying an iterative reaction cycle consisting of a decarboxylative coupling reaction and a saponification of an alkynyl carboxylic ester, a uniform pentamer is obtained in ten steps with 14% overall yield. The copper-free conditions prevent homocoupling until the trimer stage, resulting in a significantly easier work-up of the products. Homocoupling is observed from the tetramer stage on, but a simple variation of the work-up procedure also yields the uniform tetramer and pentamer. A thorough comparison with the commonly used and described Sonogashira approach reveals that with the new presented strategy, OPEs can be built in similar overall yield, but easier purification and in a quarter of the time. All oligomers are fully characterized by proton and carbon NMR spectroscopy (NMR), mass spectrometry (MS), size-exclusion chromatog. (SEC), and IR spectroscopy (IR). After reading the article, we found that the author used 2-Bromobenzene-1,4-diol(cas: 583-69-7Computed Properties of C6H5BrO2)

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Due to the reactivity of bromide, they are used as potential precursors or important intermediates in organic synthesis. Computed Properties of C6H5BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wang, Xia’s team published research in European Journal of Medicinal Chemistry in 2022 | CAS: 583-69-7

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides. Quality Control of 2-Bromobenzene-1,4-diol

Wang, Xia; Hu, Nvdan; Kong, Wenlong; Song, Baoan; Li, Shengkun published an article on January 5 ,2022. The article was titled 《Facile and divergent optimization of chromazonarol enabled the identification of simplified drimane meroterpenoids as novel pharmaceutical leads》, and you may find the article in European Journal of Medicinal Chemistry.Quality Control of 2-Bromobenzene-1,4-diol The information in the text is summarized as follows:

The diversity of drimane hydroquinones was significantly expanded by the facile construction of (+)-chromazonarol relevant natural products, isomers, and analogs for the discovery of new pharmaceutical leads. The structure-activity relationship of (+)-chromazonarol relevant (non)-natural products was delineated via the synergistic interaction of the programmable synthesis and bioactivity-guided screening. The first divergent derivatization of (+)-chromazonarol demonstrated that the phenolic hydroxyl group is one inviolable requirement for antifungal effect. Pinpoint modification of (+)-yahazunol manifested the position of hydroxyl group was crucial for both antifungal and antitumor activities. (+)-Albaconol, (+)-neoalbaconol, and two (+)-yahazunol isomers proved to be the novel pharmaceutical leads. The probable macromol. targets were estimated to deliver new information about the biol. potentials resident in (+)-yahazunol relevant products. This work also featured the first synthesis of (+)-albaconol and (+)-neoalbaconol, the first biol. exploration of (+)-dictyvaric acid and improved preparation of (+)-8-epi-puupehedione and a promising pelorol analog. The results came from multiple reactions, including the reaction of 2-Bromobenzene-1,4-diol(cas: 583-69-7Quality Control of 2-Bromobenzene-1,4-diol)

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides. Quality Control of 2-Bromobenzene-1,4-diol

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yoshioka, Hiroki’s team published research in Biological & Pharmaceutical Bulletin in 2021 | CAS: 583-69-7

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Some of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties. Category: bromides-buliding-blocks

In 2021,Biological & Pharmaceutical Bulletin included an article by Yoshioka, Hiroki; Tominaga, Sarah; Nishikawa, Mai; Shinohara, Yasuro; Nakao, Makoto; Yoshikawa, Masae; Maeda, Tohru; Miura, Nobuhiko. Category: bromides-buliding-blocks. The article was titled 《Different renal chronotoxicity of bromobenzene and its intermediate metabolites in mice》. The information in the text is summarized as follows:

Bromobenzene (BB) is known to pose a serious threat to human health. We previously demonstrated that BB showed chronotoxicity, i.e., daily fluctuations in the severity of hepatotoxicity induced in mice. Although BB showed mild nephrotoxicity, a daily fluctuation was not observed in this toxicity. This might be attributed to the fact that BB-induced chronotoxicity is observed only in the liver and not in the kidneys and that the damage caused by BB is prominent in the liver, masking the daily fluctuation in nephrotoxicity. To confirm these two possibilities, we examined the daily fluctuations in nephrotoxicity due to BB intermediate metabolites that target the kidneys: 3-bromophenol, bromohydroquinone, and 4-bromocatechol. Mice were injected with 3-bromophenol, bromohydroquinone, or 4-bromocatechol i.p. at six different time points in a day (zeitgeber time (ZT): ZT2, ZT6, ZT10, ZT14, ZT18, or ZT22). Mortality was monitored for 7 d post-injection. Mice were more sensitive to the acute toxicity of these metabolites around at ZT14 (dark-phase) exposure than around at ZT2 (light-phase) exposure. Furthermore, mice administered with a non-LD of 4-bromocatechol showed significant increases in the levels of plasma blood urea nitrogen and renal malondialdehyde at ZT14 exposure. Moreover, glutathione peroxidase-4, a ferroptosis indicator, was attenuated at ZT14 exposure. These results indicate the toxicity of BB metabolites was higher during the dark-phase exposure, and demonstrate the reason why the diurnal variation of nephrotoxicity by BB was not observed in our previous report is that renal damage was masked due to severe hepatic damage. In the experiment, the researchers used 2-Bromobenzene-1,4-diol(cas: 583-69-7Category: bromides-buliding-blocks)

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Some of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties. Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Malaganvi, Shivanand S.’s team published research in Journal of Molecular Structure in 2019 | CAS: 583-69-7

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Some of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties. SDS of cas: 583-69-7

《Spectroscopic and electronic structure characterization of hydrogen bonding in 2-Bromohydroquinone》 was written by Malaganvi, Shivanand S.; Tonannavar Yenagi, Jayashree; Tonannavar, J.. SDS of cas: 583-69-7 And the article was included in Journal of Molecular Structure on April 5 ,2019. The article conveys some information:

2-Bromohydroquinone species form both intra- and inter-mol. H-bonds. The evidences for the H-bonds have been observed in the solid-phase Mid IR (4000-400 cm-1) and Near IR (8000-5000 cm-1) absorption spectra with two intensely broad bands near 3263 and 3222 cm-1 and a broad absorption in 7000-5200 cm-1 with a band maximum at 6335 cm-1. Dimer and trimer models with DFT’s B3LYP and BP86 functionals using 6-31G(d) and 6-311++G(d,p) basis sets have been proposed for the -O-H···O bonding in 2-Bromohydroquinone. Out of the four predicted conformers, one trans and one cis conformers with nearly 1:1 Boltzmann populations, are separated by very small energy difference of 0.03 kcal/mol and this is confirmed by two chem. shifts at 9.0 and 9.3 ppm from an 1H NMR spectrum. On the basis of Quantum Theory of Atoms in Mols. (AIM) and reduced d. gradient plots of electron densities and its isosurfaces by non-covalent interactions (NCI) method, the influence of the -O-H···Br, weak van der Waals and -O-H···O bond interactions on the stability of dimer and trimer structures have been analyzed. From the natural bond orbital (NBO) anal., it is explained that the formation of H-bonding may be attributed to charge transfer from the lone pair orbital n(O) of the base Oxygen into the vacant antibonding orbital σ*(OH) of the acid OH in the -O-H···O bonding. The Near IR concentration-dependent spectra demonstrate that the sample of 2-Bromohydroquinone is composed of -O-H···O bonded species and dissociate into non-bonded species as the mole fraction of the solvent (acetonitrile/1,4-dioxane) is increased. The band observed at 7095 cm-1 at 0.09 M is identified as the first overtone of the -O-H stretching mode of the weak complex of 2-Bromohydroquinone and acetonitrile. The solvent effects on all the observed solution-phase NIR spectra are not ruled out. In addition to this study using 2-Bromobenzene-1,4-diol, there are many other studies that have used 2-Bromobenzene-1,4-diol(cas: 583-69-7SDS of cas: 583-69-7) was used in this study.

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Some of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties. SDS of cas: 583-69-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary