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a,a,a’,a’-(Tetramethyl-d12)-5-bromomethyl-1,3-benzenediacetonitrile
| Chemical Name | a,a,a’,a’-(Tetramethyl-d12)-5-bromomethyl-1,3-benzenediacetonitrile |
|---|---|
| CAT No. | CS-T-87271 |
| CAS No. | 1185016-59-4 |
| Status |
|
| Category | Stable Isotopes |
| Hazardous | This is not a Hazardous Compound |
| COA | View Sample COA |
| Controlled | No |
Additional Information
| Packing | Product will be supplied in Vials, in certain conditions we also use 'Septa Vials' |
|---|---|
| Controlled | No |
| Smileys | N#CC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1=CC(CBr)=CC(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C#N)=C1 |
| Canonical Smiles | CC(C)(C#N)C1=CC(=CC(=C1)CBr)C(C)(C)C#N |
| InchIKey | IHXHGCDOJLOZML-MGKWXGLJSA-N |
| Inchl | InChI=1S/C15H17BrN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3/i1D3,2D3,3D3,4D3 |
| IUPAC | 2-[3-(bromomethyl)-5-(2-cyano-1,1,1,3,3,3-hexadeuteriopropan-2-yl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile |
| Hazardous | No |
Usage and description
A,a,a’,a’-(Tetramethyl-d12)-5-bromomethyl-1,3-benzenediacetonitrile is a chemical compound that is commonly used in the field of organic chemistry. It is a deuterated version of the non-deuterated compound, 5-bromomethyl-1,3-benzenediacetonitrile. The compound is used as a reagent in various chemical reactions, including the synthesis of pharmaceuticals, agrochemicals, and other organic compounds.
The compound has a molecular formula of C14H12BrD4N2 and a molecular weight of 332.21 g/mol. It is a colorless to light yellow liquid with a boiling point of 305-307 °C and a melting point of -30 to -29 °C. It is soluble in organic solvents such as acetone, dichloromethane, and chloroform.
A,a,a’,a’-(Tetramethyl-d12)-5-bromomethyl-1,3-benzenediacetonitrile contains a deuterium isotope, which is an atom of hydrogen with an additional neutron in its nucleus. This isotope is commonly used in nuclear magnetic resonance (NMR) spectroscopy to study the structure and properties of molecules. Deuterium is also used in other fields such as nuclear physics, isotopic labeling, and neutron scattering.
In conclusion, A,a,a’,a’-(Tetramethyl-d12)-5-bromomethyl-1,3-benzenediacetonitrile is a useful chemical compound that is widely used in organic chemistry. Its deuterated form makes it a valuable tool for studying the structure and properties of molecules using NMR spectroscopy.
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