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Fluorobenzyl-[d6] chloride

General Information
Catalog: BLP-011869
CAS: 1219804-13-3
Molecular Formula: C7D6ClF
Molecular Weight: 150.61
Chemical Structure
Fluorobenzyl-[d6] chloride
Description Fluorobenzyl-[d6] chloride is the labelled analogue of 4-Fluorobenzyl Chloride, which is a chemical intermediate in the synthesis of various pharmaceutical and agricultural goods.
Synonyms Fluorobenzyl-D6 chloride
IUPAC Name 1-[chloro(dideuterio)methyl]-2,3,5,6-tetradeuterio-4-fluorobenzene
Related CAS 352-11-4 (unlabelled)
Canonical SMILES C1=CC(=CC=C1CCl)F
InChI InChI=1S/C7H6ClF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2/i1D,2D,3D,4D,5D2
InChI Key IZXWCDITFDNEBY-NVSFMWKBSA-N
Boiling Point 181.6±15.0 °C at 760 mmHg
Purity 95%
Density 1.2±0.1 g/cm3
Storage Store at -20°C

Fluorobenzyl-[d6] chloride is a deuterated chemical compound that finds significant applications in various scientific fields. Here are some key applications of Fluorobenzyl-[d6] chloride:

Analytical Chemistry: Fluorobenzyl-[d6] chloride is widely used in analytical chemistry as a labeling reagent. By incorporating deuterium atoms, it serves as an isotopic label in mass spectrometry, aiding in the identification and quantification of compounds. This application is crucial for studying complex mixtures and tracing metabolic pathways.

Pharmaceutical Research: In drug development, Fluorobenzyl-[d6] chloride is utilized to synthesize deuterium-labeled pharmaceuticals. These labeled compounds are important for pharmacokinetic and metabolic studies, providing insights into drug absorption, distribution, metabolism, and excretion. Deuterium-labeled drugs can reveal subtle differences in biological processes compared to their non-labeled counterparts.

Nuclear Magnetic Resonance (NMR) Spectroscopy: The use of Fluorobenzyl-[d6] chloride in NMR spectroscopy enhances the quality of spectral data. Deuterium labeling reduces line broadening and simplifies spectra, facilitating the study of molecular structures and dynamics. This application is especially useful in complex samples where detailed structural information is required.

Radiopharmaceutical Research: Fluorobenzyl-[d6] chloride plays an important role in the development of radiolabeled compounds for imaging studies. By substituting hydrogen with deuterium, researchers can design stable isotopes that are suitable for positron emission tomography (PET) and other imaging techniques. These radiopharmaceuticals are vital for non-invasive diagnosis and monitoring of diseases.

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