Description

Phenyl-D5-Acetonitrile CAS NO 70026-36-7 is a deuterated organic compound where five hydrogen atoms on the phenyl ring are replaced by deuterium, serving as a stable isotope-labeled internal standard. This high-purity labeled compound is critical for ensuring accuracy and reliability in quantitative mass spectrometry analyses. It is primarily required by analytical laboratories and R&D departments in the pharmaceutical, agrochemical, and environmental testing industries for method development, validation, and regulatory compliance.

Application

• Internal Standard for Mass Spectrometry (MS): Essential for precise quantitative analysis in LC-MS and GC-MS workflows, correcting for instrument variability and sample preparation losses.
• Pharmaceutical Metabolism and Pharmacokinetics (DMPK) Studies: Used as a tracer to study the absorption, distribution, metabolism, and excretion (ADME) of drug molecules and their metabolites.
• Environmental and Food Safety Analysis: Enables accurate detection and quantification of trace-level contaminants, pesticides, or toxins in complex matrices.
• Synthetic Intermediate for Labeled Compounds: Acts as a key building block for the synthesis of more complex deuterium-labeled molecules for research.
• NMR Spectroscopy Solvent & Reagent: Utilized as a deuterated solvent or reagent in nuclear magnetic resonance spectroscopy.
• Clinical Diagnostics and Biomarker Research: Supports the development of high-precision assays for disease biomarker quantification.

Basic Information

Product Name	Phenyl-D5-Acetonitrile
CAS No.	70026-36-7
Molecular Formula	C8D5H2N
Molecular Weight	122.18 g/mol
Synonyms	Benzene-D5-acetonitrile; (2,3,4,5,6-Pentadeuteriophenyl)acetonitrile; Phenylacetonitrile-D5; α-Tolunitrile-D5; Benzyl cyanide-D5; Deuteron Phenylacetonitrile; C6D5CH2CN
EINECS	Contact for details

Quality Control

Our Phenyl-D5-Acetonitrile is manufactured under strict quality control protocols to ensure exceptional isotopic purity and chemical integrity, which are paramount for analytical applications. Each batch is analyzed using advanced techniques including NMR, GC-MS, and HPLC to confirm isotopic enrichment (typically ≥98 atom % D) and chemical purity (≥99%). A comprehensive Certificate of Analysis (COA) detailing batch-specific results is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Keep away from strong acids and incompatible materials. For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.

Specification

Item	Specification
Appearance	Colorless to pale yellow clear liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 99.0%
Isotopic Purity (NMR/MS)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%

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