《Application of Hammett equation to hydrogen bond interactions of benzoic acid in chloroform/water system and explanation for non-linear Hammett relation to partition coefficients for the same system》 was published in Computational & Theoretical Chemistry in 2020. These research results belong to Rachuru, Sanjeev; Skelton, Adam A.; Vandanapu, Jagannadham. Reference of 4-Bromobenzoic acid The article mentions the following:
It is well known that benzoic acid distributes itself between chloroform and water. The partition coefficients (Kp) of seven different benzoic acids in chloroform/water are documented in the literature. Plausible hydrogen bonded structures of these seven benzoic acids with the two immiscible solvents were envisaged and the DFT calculation for these hydrogen bonds were carried out. Further, the conformity of Hammett relation to the hydrogen bond interactions was assessed. Application of Hammett equation to the hydrogen bonding of distribution of different para-substituted benzoic acids to these immiscible solvents is done for the first time. Further, an explanation for non-linear plot of partition coefficients logKp of para-substituted benzoic acids in chloroform-water system vs. Hammett σ value has been explained for the first time. In the experiment, the researchers used 4-Bromobenzoic acid(cas: 586-76-5Reference of 4-Bromobenzoic acid)
4-Bromobenzoic acid(cas: 586-76-5) has been used to study the metabolic fate of 2-,3-and 4-bromo benzoic acids in rat hepatocytes incubation using high temperature liquid chromatography.Reference of 4-Bromobenzoic acid It was used in bromine-specific detection of the metabolites of 2-,3-and 4-bromobenzoic acid in the urine and bile of rats by inductively coupled plasma mass spectrometry.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary