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2-Chloro-2-methylpropane-[d9]

General Information
Catalog: BLP-010905
CAS: 918-20-7
Molecular Formula: C4D9Cl
Molecular Weight: 101.62
Chemical Structure
2-Chloro-2-methylpropane-[d9]
Description 2-Chloro-2-methylpropane-[d9] is the labelled analogue of 2-Chloro-2-methylpropane.
Synonyms tert-Butyl-d9 chloride; 2-Chloro-2-methylpropane-d9
IUPAC Name 2-chloro-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane
Related CAS 507-20-0 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])Cl
Canonical SMILES CC(C)(C)Cl
InChI InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3/i1D3,2D3,3D3
InChI Key NBRKLOOSMBRFMH-GQALSZNTSA-N
Boiling Point 51-52°C (lit.)
Melting Point -25°C (lit.)
Purity 99% by CP; 98% atom D
Density 0.933 g/cm3 at 25°C
Storage Store at RT

2-Chloro-2-methylpropane-[d9] is a deuterated chemical compound commonly used in various scientific and industrial applications. Here are some key applications of 2-Chloro-2-methylpropane-[d9]:

Analytical Chemistry: 2-Chloro-2-methylpropane-[d9] is used as a stable isotope-labeled compound in analytical chemistry for nuclear magnetic resonance (NMR) spectroscopic studies. Its deuterium-labeled form allows for clear peak differentiation in complex spectra, enhancing the analysis of organic molecules. This compound is invaluable in studying reaction mechanisms and identifying molecular structures.

Pharmaceutical Research: In pharmaceutical research, 2-Chloro-2-methylpropane-[d9] serves as an internal standard in drug metabolism studies and pharmacokinetics. By using this compound, researchers can achieve precise quantification of drug levels and metabolites in biological samples. This application aids in understanding drug absorption, distribution, metabolism, and excretion properties.

Environmental Studies: 2-Chloro-2-methylpropane-[d9] is employed in environmental studies to trace the fate and transport of chlorinated organic compounds in ecosystems. Its deuterated nature allows for the distinction between naturally occurring and experimentally introduced compounds in environmental sampling. This aids in understanding the impact and degradation pathways of pollutants.

Chemical Synthesis: In synthetic chemistry, 2-Chloro-2-methylpropane-[d9] is used as a labeled reagent in mechanistic studies and the synthesis of deuterium-labeled compounds. The presence of deuterium helps trace the movement of atoms during reactions, providing insights into reaction pathways. This is crucial for developing efficient synthesis methods and studying reaction dynamics.

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