Description

2-Fluorobenzonitrile-D4 is a deuterated isotopologue of 2-fluorobenzonitrile, a valuable building block in advanced chemical synthesis. This compound is specifically designed for applications requiring stable isotopic labeling, offering enhanced metabolic stability and traceability in research. It is primarily utilized by pharmaceutical R&D teams, agrochemical scientists, and academic researchers working in the fields of drug discovery, metabolite identification, and mechanistic studies. Its high isotopic purity makes it an essential tool for precise analytical and synthetic work.

Application

• Pharmaceutical Research: Used as a deuterium-labeled intermediate in the synthesis of novel Active Pharmaceutical Ingredients (APIs) for pharmacokinetic and metabolic stability studies.
• Agrochemical Development: Serves as a key precursor in creating isotopically labeled pesticides and herbicides for environmental fate and metabolism tracing.
• Analytical Reference Standard: Employed as an internal standard in quantitative mass spectrometry (LC-MS, GC-MS) for accurate bioanalysis and quantification.
• Mechanistic Studies: Facilitates reaction pathway elucidation and kinetic isotope effect (KIE) investigations in organic and medicinal chemistry.
• Material Science Research: Potential use in the development of specialty polymers and liquid crystals where deuterium substitution modifies physical properties.

Basic Information

Product Name	2-Fluorobenzonitrile-D4
CAS No.	2256740-46-0
Molecular Formula	C7HDF4N
Molecular Weight	124.12 g/mol (approx.)
Synonyms	2-Fluoro-3,4,5,6-tetradeuteriobenzonitrile; Deuterated 2-Fluorobenzonitrile; 2-Fluorobenzonitrile-d4; o-Fluorobenzonitrile-D4; Benzonitrile, 2-fluoro-3,4,5,6-d4-; 2-Cyanofluorobenzene-D4
EINECS	Contact for details

Quality Control

Every batch of 2-Fluorobenzonitrile-D4 is produced and tested under strict quality management protocols to ensure high chemical and isotopic purity. Our products undergo rigorous quality testing, including NMR, HPLC, and mass spectrometry, to ensure compliance with industry standards for labeled compounds. Certificates of Analysis (COA) detailing isotopic enrichment (D-atom %), chemical purity, and identity confirmation are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D-atom %)	≥ 98.0%
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.