3652-86-6

Usage

Uses

Used in Pharmaceutical Production:
Chloroethane-1,1-D2 is used as a solvent in the production of pharmaceuticals for its ability to dissolve a wide range of compounds, facilitating the synthesis and purification processes.
Used as a Refrigerant:
Due to its thermodynamic properties, chloroethane-1,1-D2 is used as a refrigerant in various cooling systems, providing efficient heat transfer and cooling capabilities.
Used in Chemical Synthesis:
Chloroethane-1,1-D2 serves as an intermediate in the synthesis of other chemicals, contributing to the production of various compounds used in different industries.
Used in Nuclear Magnetic Resonance (NMR) Spectroscopy:
As a deuterated solvent, chloroethane-1,1-D2 is utilized in NMR spectroscopy for deuterated compounds, allowing for improved resolution and analysis of complex molecular structures, which is crucial in understanding the properties and interactions of molecules.
Used in Environmental and Metabolic Studies:
Chloroethane-1,1-D2 has been studied for its potential use as a tracer compound in environmental and metabolic studies, helping researchers track and analyze the behavior of substances in various systems.

InChI:InChI=1/C2H5Cl/c1-2-3/h2H2,1H3/i2D2

Upstream product

• 1859-09-2 ethanol-1,1-d2 

Relevant academic research and scientific papers

Experimental and theoretical multiple kinetic isotope effects for an SN2 reaction. An attempt to determine transition-state structure and the ability of theoretical methods to predict experimental kinetic isotope effects

The secondary α-deuterium, the secondary β-deuterium, the chlorine leaving-group, the nucleophile secondary nitrogen, the nucleophile 12C/13C carbon, and the 11C/14C α-carbon kinetic isotope effects (KIEs) and activation parameters have been measured for the SN2 reaction between tetrabutylammonium cyanide and ethyl chloride in DMSO at 30°C. Then, thirty-nine readily available different theoretical methods, both including and excluding solvent, were used to calculate the structure of the transition state, the activation energy, and the kinetic isotope effects for the reaction. A comparison of the experimental and theoretical results by using semiempirical, ab initio, and density functional theory methods has shown that the density functional methods are most successful in calculating the experimental isotope effects. With two exceptions, including solvent in the calculation does not improve the fit with the experimental KIEs. Finally, none of the transition states and force constants obtained from the theoretical methods was able to predict all six of the KIEs found by experiment. Moreover, none of the calculated transition structures, which are all early and loose, agree with the late (product-like) transition-state structure suggested by interpreting the experimental KIEs.

Photochemistry of tetramethyl(2,2'-bipyridine)platinum(IV)

It is shown that photolysis of using incident radiation with λ 436 or 473 nm occurs with high quantum efficiency of 0.8-1.0 to give homolysis of a methyl-palladium bond; this has allowed a study of the chemical reactions of the radical.