Description

Phenylacetonitrile-1,2-13C2 is a stable isotope-labeled analog of phenylacetonitrile, specifically enriched with carbon-13 at the 1 and 2 positions of the nitrile group. This compound is essential for advanced analytical research, providing a critical internal standard for precise quantification and metabolic pathway tracing using techniques like mass spectrometry and NMR. It is primarily utilized by research scientists and process chemists in the pharmaceutical, agrochemical, and academic sectors for drug metabolism studies, proteomics, and the synthesis of labeled complex molecules.

Application

• Internal Standard for Mass Spectrometry (MS): Used for accurate quantification in bioanalytical methods, pharmacokinetic studies, and metabolomics research.
• Metabolic Pathway Tracing: Enables the study of biochemical pathways and metabolite identification in drug development and biological research.
• NMR Spectroscopy: Serves as a valuable probe for structural elucidation and reaction mechanism studies due to the distinct 13C signal.
• Synthesis of Isotope-Labeled Compounds: Acts as a key building block for the preparation of more complex 13C-labeled intermediates and active pharmaceutical ingredients (APIs).
• Environmental Fate Studies: Employed in research to track the degradation and transformation of chemical compounds in environmental samples.

Basic Information

Product Name	Phenylacetonitrile-1,2-13C2
CAS No.	286425-40-9
Molecular Formula	C8H713C2N
Molecular Weight	120.14 (average)
Synonyms	Benzyl cyanide-1,2-13C2; (13C2)Phenylacetonitrile; 2-Phenylethanenitrile-1,2-13C2; α-Tolunitrile-1,2-13C2; ω-Cyanotoluene-1,2-13C2; Benzeneacetonitrile-1,2-13C2; 13C Labeled Phenylacetonitrile; [1,2-13C2]Benzyl Cyanide
EINECS	Contact for details

Quality Control

Every batch of Phenylacetonitrile-1,2-13C2 is produced and analyzed under strict quality management protocols. We guarantee high chemical and isotopic purity, with comprehensive testing including assay, isotopic enrichment, and impurity profiling. Certificates of Analysis (COA) detailing all specifications are provided with each shipment to ensure traceability and compliance with your research requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Due to its highly volatile nature, ensure containers are securely sealed when not in use and stored away from strong bases and open flames.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Enrichment	≥ 99 atom % 13C
Water Content (KF)	≤ 0.5%

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