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Iodobenzene-d5丨CAS 7379-67-1

Iodobenzene-d5丨CAS 7379-67-1
Product Introduction:
CAS No.: 7379-67-1
Product Name: Iodobenzene-d5
Molecular Formula: C6H5I
Molecular Weight: 209.04
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Technical Parameters
Description

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High Purity Iodobenzene-d5丨CAS 7379-67-1

 

Iodobenzene-d5 is a deuterium-labeled aromatic compound in which all five hydrogen atoms on the benzene ring are replaced by deuterium. Featuring an iodine substituent and a fully deuterated phenyl ring, this compound is a valuable building block for isotope-labeling research, organic synthesis, and the preparation of specialized aromatic derivatives. Its reactive carbon–iodine bond enables a range of transformations, making it useful in synthetic chemistry and advanced molecular research.

 

Chemical Identifiers

 

InChI InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
InChI Key SNHMUERNLJLMHN-RALIUCGRSA-N
Smiles [2H]C1=C(C(=C(C(=C1[2H])[2H])I)[2H])[2H]
EC No. 664-252-9
MDL No. MFCD00190467
PubChem CID 12110107

 

 

 

Applications

 

Analytical Chemistry and Mass Spectrometry

Deuterated aromatic compounds are useful in analytical method development and isotope-labeling studies. Iodobenzene-d5 can serve as a synthetic precursor for preparing labeled reference compounds and research materials for suitable analytical workflows, including mass spectrometry.

Pharmaceutical Research and Drug Discovery

Iodobenzene-d5 can be used as a starting material for synthesizing deuterium-labeled aromatic compounds in pharmaceutical research. Isotopic labeling supports investigations into molecular transformations, reaction mechanisms, and metabolic pathways in drug discovery and development.

Organic Synthesis and Chemical Research

The iodine substituent provides a reactive site for various organic transformations, including palladium-catalyzed cross-coupling reactions. Researchers can use Iodobenzene-d5 to introduce a fully deuterated phenyl group into target molecules, supporting the synthesis of labeled aromatic and heteroaromatic derivatives.

Materials Science and Organic Electronics

Deuterated aromatic building blocks can support the development of specialized organic molecules for advanced materials research. Iodobenzene-d5 may be incorporated into synthetic pathways for functional aromatic compounds investigated in optoelectronics and other materials applications, depending on the intended molecular structure.

 

 

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