4-(2-Bromoacetyl)benzonitrile-d4

Product Name 4-(2-Bromoacetyl)benzonitrile-d4
CAT No. CS-T-68078
CAS No. 1794793-46-6
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys N#CC(C([2H])=C1[2H])=C([2H])C([2H])=C1C(CBr)=O
Canonical Smiles C1=CC(=CC=C1C#N)C(=O)CBr
InchIKey LJANCPRIUMHGJE-RHQRLBAQSA-N
Inchl InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2/i1D,2D,3D,4D
IUPAC 4-(2-bromoacetyl)-2,3,5,6-tetradeuteriobenzonitrile
Controlled No
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4-(2-Bromoacetyl)benzonitrile-d4 is a deuterated form of the organic compound 4-(2-Bromoacetyl)benzonitrile. This compound is commonly used in organic synthesis as a building block for the production of more complex organic molecules. Its deuterated form is used in nuclear magnetic resonance (NMR) spectroscopy studies, where it is used as a reference standard for the calibration of NMR instruments. The chemical formula for 4-(2-Bromoacetyl)benzonitrile-d4 is C8D4BrNO, and it has a molecular weight of 230.03 g/mol. The compound has a melting point of 85-89°C and a boiling point of 326-329°C. It is a colorless to light yellow crystalline solid that is insoluble in water but soluble in most organic solvents. The chemical structure of 4-(2-Bromoacetyl)benzonitrile-d4 features a benzene ring, a nitrile group, and a bromoacetyl group, which makes it a useful intermediate in the synthesis of a variety of organic molecules. Its deuterated form is used in NMR spectroscopy studies as a reference standard due to its high purity and stable isotopic composition. In summary, 4-(2-Bromoacetyl)benzonitrile-d4 is a valuable tool in both organic synthesis and NMR spectroscopy studies. Its chemical properties and structural features make it a versatile building block for the production of complex organic molecules, while its deuterated form serves as a reliable reference standard for the calibration of NMR instruments.

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