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1-Bromo-4-fluorobenzene-d4丨CAS 50592-31-9

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Product Introduction:

CAS No.: 50592-31-9
Product Name: 1-Bromo-4-fluorobenzene-d4
Molecular Formula: C6H4BrF
Molecular Weight: 179.02

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Technical Parameters

Description

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High Purity 1-Bromo-4-fluorobenzene-d4丨CAS 50592-31-9

1-Bromo-4-fluorobenzene-d4 is a deuterated aromatic halide derived from 1-bromo-4-fluorobenzene, in which four hydrogen atoms on the benzene ring are replaced by deuterium atoms. This isotopically labeled compound is useful in chemical research, analytical method development, and the synthesis of deuterium-labeled molecules. Its bromine and fluorine substituents provide versatile functional handles for further chemical transformations.

Chemical Identifiers

InChI	InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H/i1D,2D,3D,4D
InChI Key	AITNMTXHTIIIBB-RHQRLBAQSA-N
Smiles	[2H]C1=C(C(=C(C(=C1F)[2H])[2H])Br)[2H]
EC No.	694-090-4
MDL No.	MFCD01861659
PubChem CID	11252322

Applications

Analytical Chemistry and Mass Spectrometry

Deuterated aromatic compounds can be used in analytical research and method development where isotopic labeling is required. Depending on the analytical method and target compound, 1-Bromo-4-fluorobenzene-d4 may contribute to the preparation of labeled reference materials or intermediates for mass spectrometry studies.

Pharmaceutical Research and Drug Discovery

1-Bromo-4-fluorobenzene-d4 can serve as a specialized building block in the synthesis of deuterium-labeled aromatic compounds for pharmaceutical research. Deuterium labeling supports investigations of metabolic pathways, molecular stability, and reaction mechanisms in drug discovery.

Organic Synthesis and Chemical Research

The bromine and fluorine substituents make this compound a useful intermediate for exploring aromatic functionalization and cross-coupling reactions. Researchers can use it to prepare structurally diverse deuterium-labeled aromatic derivatives for reaction development and mechanistic studies.

Materials Science and Advanced Materials

Deuterated aromatic building blocks can support the synthesis of specialized organic molecules for advanced materials research. 1-Bromo-4-fluorobenzene-d4 may be incorporated into research pathways involving functional aromatic compounds, depending on the target molecular structure and synthesis route.

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