[Ring-13C6]-4-Iodobenzonitrile

Product Name [Ring-13C6]-4-Iodobenzonitrile
CAT No. CS-EK-01735
CAS No. 3058-39-7 unlabeled
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
Canonical Smiles C1=CC(=CC=C1C#N)I
InchIKey XOKDXPVXJWTSRM-UHFFFAOYSA-N
Inchl InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H
IUPAC 4-iodobenzonitrile
Controlled No
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[Ring-13C6]-4-Iodobenzonitrile is a compound that is commonly used in chemical research. This compound is a labeled analog of 4-Iodobenzonitrile, which is a well-known intermediate in the synthesis of pharmaceuticals and agrochemicals. The presence of the 13C6-labeled ring in [Ring-13C6]-4-Iodobenzonitrile makes it ideal for use in studies that require the tracking of specific atoms or molecules in a reaction or biological system. The primary use of [Ring-13C6]-4-Iodobenzonitrile is in nuclear magnetic resonance (NMR) spectroscopy, where it is used as a reference standard to calibrate NMR instruments and to determine chemical shifts. The labeled ring in this compound allows for the identification and quantification of specific carbon atoms in organic molecules, which is useful in a variety of applications, including drug discovery and metabolic studies. In terms of its chemical properties, [Ring-13C6]-4-Iodobenzonitrile is a crystalline solid with a molecular weight of 273.07 g/mol. It has a melting point of 108-110°C and is soluble in organic solvents such as dichloromethane and ethanol. This compound is also stable under normal laboratory conditions and can be stored for extended periods without degradation. Overall, [Ring-13C6]-4-Iodobenzonitrile is a valuable tool in chemical research and NMR spectroscopy. Its unique labeling properties allow for the precise tracking of specific carbon atoms, making it an essential reference standard in many scientific applications.

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