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4-Fluorobenzoic Acid-[d4]

General Information
Catalog: BLP-010560
CAS: 93111-25-2
Molecular Formula: C7HD4FO2
Molecular Weight: 144.14
Chemical Structure
4-Fluorobenzoic Acid-[d4]
Synonyms 4-Fluorobenzoic Acid D4; 4-Fluorobenzoic-2,3,5,6-d4 Acid; NSC 10321-d4; p-Fluorobenzoic Acid-d4
IUPAC Name 2,3,5,6-tetradeuterio-4-fluorobenzoic acid
Related CAS 456-22-4 (unlabelled)
Canonical SMILES C1=CC(=CC=C1C(=O)O)F
InChI InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4D
InChI Key BBYDXOIZLAWGSL-RHQRLBAQSA-N
Purity 98% by HPLC; 98% atom D
Solubility Soluble in Alcohol, hot Water, Methanol, Ether; Very slightly soluble in cold Water
Appearance Crystalline Powder
Storage Store at RT

4-Fluorobenzoic Acid-[d4], a deuterated compound utilized primarily in scientific research and analytical applications, finds diverse applications across various fields. Here are key applications of 4-Fluorobenzoic Acid-[d4] presented with a high degree of perplexity and burstiness:

Stable Isotope Labeling: Embraced in stable isotope labeling experiments within mass spectrometry, 4-Fluorobenzoic Acid-[d4] emerges as a pivotal tool. Its deuterium atoms, acting as invaluable tracers, enable researchers to monitor the compound's journey without altering its intrinsic chemical properties. This specialized capability plays a critical role in pharmacokinetic investigations, facilitating comprehensive studies on drug absorption, distribution, metabolism, and excretion dynamics.

NMR Spectroscopy: Delving into the realm of nuclear magnetic resonance (NMR) spectroscopy, 4-Fluorobenzoic Acid-[d4] shines as a beacon for studying molecular structures and dynamics with unparalleled precision. The incorporation of deuterium labels enriches spectral clarity, enabling researchers to discern subtle nuances amidst overlapping signals. This enhancement elevates the accuracy of structural analysis in intricate organic compounds, offering deeper insights into molecular behavior.

Pharmaceutical Research: Within the realm of pharmaceutical research, 4-Fluorobenzoic Acid-[d4] assumes a pivotal role as a reference standard essential for drug development and formulation testing endeavors. Researchers leverage this compound to calibrate analytical instruments and validate methodologies, ensuring the reliability and precision of quantitative analyses, such as purity assessments. This meticulous approach safeguards the integrity of drug research, fostering robust and trustworthy results.

Chemical Synthesis: In the intricate domain of synthetic chemistry, 4-Fluorobenzoic Acid-[d4] emerges as a versatile precursor and intermediate for synthesizing various deuterated compounds. Its distinctive isotopic labeling serves as a cornerstone for crafting compounds with precise characteristics, essential for detailed mechanistic explorations. This strategic use of isotopic labels sheds light on reaction kinetics and pathways, unraveling the intricacies of chemical transformations with unparalleled depth.

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