A virtual screening approach to identifying the greenest compound for a task: application to switchable-hydrophilicity solvents was written by Vanderveen, J. R.;Patiny, L.;Chalifoux, C. B.;Jessop, M. J.;Jessop, P. G.. And the article was included in Green Chemistry in 2015.SDS of cas: 4457-67-4 This article mentions the following:
A virtual or in-silico screening approach makes it much easier to identify mol. structures which best combine efficacy for a specific task with safety and min. environmental or health impacts. In this approach, software generates a larger number of possible mol. structures, then quant. structure-activity relationships (QSAR) predict properties related to performance, safety, and health and environmental impact. Structures are then scored on criteria (e.g., flash point, toxicity) and given an overall score. The method identifies compounds with high scores for 3 performance criteria and 7 health, safety, and environmental criteria. This method allows for larger-scale, faster screening than can be performed using human intellect and a bench-top approach. Its success was demonstrated by using it to identify new, possibly more green switchable-hydrophilic solvents (SHS). Three SHS were identified using this method. The mol. design approach is entirely modular and can be applied to design nearly any type of chem.; however, method limitations are that it does not consider chem. production health and environmental costs. In the experiment, the researchers used many compounds, for example, 1-Bromo-4-methoxybutane (cas: 4457-67-4SDS of cas: 4457-67-4).
1-Bromo-4-methoxybutane (cas: 4457-67-4) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.SDS of cas: 4457-67-4
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary