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1,3-Dibromobenzene-d4丨CAS 1616983-07-3

1,3-Dibromobenzene-d4丨CAS 1616983-07-3
Product Introduction:
CAS No.: 1616983-07-3
Product Name: 1,3-Dibromobenzene-d4
Molecular Formula: C6H4Br2
Molecular Weight: 239.93
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Technical Parameters
Description

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1,3-Dibromobenzene-d4 is a deuterium-labeled aromatic compound in which four hydrogen atoms on the benzene ring are replaced by deuterium. With two bromine substituents in the meta position, this compound serves as a useful building block for isotope-labeling research, organic synthesis, and the preparation of specialized aromatic derivatives. Its two carbon–bromine bonds provide opportunities for further functionalization, making it valuable in synthetic chemistry and molecular development.

 

Chemical Identifiers

 

InChI InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H/i1D,2D,3D,4D
InChI Key JSRLURSZEMLAFO-RHQRLBAQSA-N
Smiles [2H]C1=C(C(=C(C(=C1[2H])Br)[2H])Br)[2H]
EC No.  
MDL No.  
PubChem CID 133553950

 

 

 

Applications

 

Analytical Chemistry and Mass Spectrometry

Deuterated aromatic compounds can support isotope-labeling studies and analytical method development. 1,3-Dibromobenzene-d4 may serve as a synthetic precursor for preparing labeled reference compounds or research materials for suitable analytical workflows, including mass spectrometry.

Pharmaceutical Research and Drug Discovery

1,3-Dibromobenzene-d4 can be used as a starting material for synthesizing deuterium-labeled aromatic intermediates in pharmaceutical research. Isotopic labeling supports investigations into molecular transformations, reaction mechanisms, and the behavior of labeled compounds during drug discovery and development.

Organic Synthesis and Chemical Research

The two bromine substituents provide reactive sites for further chemical modification, including suitable transition-metal-catalyzed cross-coupling reactions. Researchers can use this compound to introduce a deuterated meta-substituted benzene framework into target molecules and prepare structurally diverse aromatic derivatives.

Materials Science

Brominated aromatic intermediates are useful in the development of functional organic molecules and advanced materials. 1,3-Dibromobenzene-d4 can support research into deuterated aromatic structures for materials science and molecular design, depending on the requirements of the target compound.

 

 

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