So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Netzeva, T. I.; Schultz, T. W.; Aptula, A. O.; Cronin, M. T. d. researched the compound: 2-Bromopropanenitrile( cas:19481-82-4 ).Quality Control of 2-Bromopropanenitrile.They published the article 《Partial Least Squares Modelling of the Acute Toxicity of Aliphatic Compounds to Tetrahymena pyriformis》 about this compound( cas:19481-82-4 ) in SAR and QSAR in Environmental Research. Keywords: aliphatic compound toxicity Tetrahymena MSBAR partial least square modeling. We’ll tell you more about this compound (cas:19481-82-4).
The aim of this study was to evaluate a multivariate statistical model, utilizing Partial Least Squares (PLS) anal., for the prediction of the acute toxicity of aliphatic chems. to the ciliate Tetrahymena pyriformis. A model was developed that was capable of making a prediction regardless the mechanism of toxic action. The toxicity of 476 compounds, possessing different mechanisms of toxic action was considered. A set of 74 descriptors, including the octanol-water partition coefficient, mol.-orbital descriptors, geometrical, topol. and connectivity indexes, was generated. A 3-component, 8-descriptor PLS model was developed. It was validated by a Y-permutation test and by simulation of external prediction for complementary subsets. A comparison with existing class or mechanism-based models, derived on the same data set, was made.
After consulting a lot of data, we found that this compound(19481-82-4)Quality Control of 2-Bromopropanenitrile can be used in many types of reactions. And in most cases, this compound has more advantages.
Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI