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2-Fluorobromobenzene-d4丨CAS 50592-35-3

2-Fluorobromobenzene-d4丨CAS 50592-35-3
Product Introduction:
CAS No.: 50592-35-3
Product Name: 2-Fluorobromobenzene-d4
Molecular Formula: C6H4BrF
Molecular Weight: 179.02
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Technical Parameters
Description

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2-Fluorobromobenzene-d4 is a deuterium-labeled aromatic halide containing fluorine and bromine substituents on a benzene ring. Its isotopic labeling and reactive carbon–bromine bond make it a useful building block for organic synthesis, isotope-labeling studies, and the preparation of deuterated aromatic compounds. The combination of halogen substituents offers opportunities for further chemical functionalization.

 

Chemical Identifiers

 

InChI InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D
InChI Key IPWBFGUBXWMIPR-RHQRLBAQSA-N
Smiles [2H]C1=C(C(=C(C(=C1[2H])F)Br)[2H])[2H]
EC No.  
MDL No. MFCD06656347
PubChem CID 57606209

 

 

 

Applications

 

Analytical Chemistry

Its deuterium-labeled structure makes it useful in studies of isotopic effects and reaction pathways, as well as in the preparation of labeled compounds for analytical research.

Pharmaceutical Research

It can support the preparation of deuterated pharmaceutical intermediates and research compounds for studying molecular structure, reaction mechanisms, and isotopic effects.

Chemical Synthesis

2-Fluorobromobenzene-d4 can serve as an intermediate for synthesizing deuterium-labeled aromatic compounds. Its bromine substituent provides a site for cross-coupling and other transformations, while the fluorine substituent can influence the reactivity and properties of the resulting molecules.

Materials Science

This compound can be used as a building block in research involving functional aromatic molecules, specialty organic materials, and compounds designed with specific electronic or structural properties.

 

 

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