Description

Nitrous Acid 2-Phenylethyl-2,2-D2 Ester is a deuterium-labeled isotopologue of a nitrous acid ester derivative, specifically featuring deuterium atoms at the 2,2 positions of the phenylethyl moiety. This compound is of significant value in research and development, particularly as a stable isotope-labeled standard or intermediate for analytical chemistry and mechanistic studies. It is primarily utilized by professionals in pharmaceutical research, agrochemical development, and advanced material science where precise tracking, metabolic studies, or kinetic isotope effect investigations are required.

Application

• Internal Standard for Mass Spectrometry: Used as a deuterated standard for the accurate quantification of its non-labeled counterpart or related compounds in LC-MS or GC-MS analysis.
• Mechanistic Probe in Organic Synthesis: Employed to study reaction pathways and kinetic isotope effects (KIEs) in reactions involving nitrous acid ester decomposition or rearrangement.
• Pharmaceutical Intermediate: Serves as a labeled building block in the synthesis of deuterated drug candidates for improved metabolic stability or as tracers.
• Agrochemical Research: Utilized in the development and environmental fate studies of labeled pesticide or herbicide molecules.
• Metabolic Pathway Tracing: Acts as a tracer compound in biochemical and pharmacological research to elucidate metabolic pathways.
• Reference Material: Provides a high-purity, characterized reference material for method development and validation in analytical laboratories.

Basic Information

Product Name	Nitrous Acid 2-Phenylethyl-2,2-D2 Ester
CAS No.	67428-03-9
Molecular Formula	C8H7D2NO2
Molecular Weight	153.18 g/mol (approx.)
Synonyms	2-Phenylethyl-2,2-d2 Nitrite; 2-Phenylethyl-d2 Nitrite; (2,2-Dideutero-2-phenylethyl) Nitrite; Nitrous Acid (2,2-Dideutero-2-phenylethyl) Ester; Benzeneethan-2,2-d2-ol, Nitrite; 1-Deutero-2-phenylethyl-1-d Nitrite; Deuterated Phenylethyl Nitrite
EINECS	Contact for details

Quality Control

Every batch of Nitrous Acid 2-Phenylethyl-2,2-D2 Ester is produced and analyzed under strict quality protocols to ensure identity, purity, and isotopic enrichment meet the exacting standards required for research applications. Our products undergo rigorous quality testing, including NMR, MS, and HPLC analysis. Certificates of Analysis (COA) detailing batch-specific results for assay, isotopic purity, and impurities are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its nature as a nitrous acid ester, it should be handled with care and kept away from heat, sparks, and strong oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Isotopic Purity (D-content, 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.