Description

Toluene-3,5-D2 is a deuterium-labeled isotopologue of toluene, specifically deuterated at the 3 and 5 positions of the aromatic ring. This compound is a critical stable isotope-labeled standard, essential for ensuring accuracy and traceability in advanced analytical techniques. It is primarily utilized by researchers and quality control laboratories in the pharmaceutical, agrochemical, and analytical chemistry sectors for applications such as quantitative NMR spectroscopy and mass spectrometry.

Application

• Internal Standard for Mass Spectrometry (MS): Used as a quantitative reference in GC-MS and LC-MS analyses to improve accuracy and precision in drug metabolism and pharmacokinetic (DMPK) studies.
• NMR Spectroscopy Solvent & Standard: Serves as a deuterated solvent or chemical shift reference in nuclear magnetic resonance (NMR) spectroscopy for structural elucidation.
• Metabolic Pathway Tracing: Employed in isotopic labeling experiments to trace and elucidate biochemical pathways and mechanisms in life science research.
• Pharmaceutical Impurity Profiling: Acts as a critical standard in the identification and quantification of process-related impurities and degradants in active pharmaceutical ingredients (APIs).
• Environmental Analysis: Used in method development and validation for detecting and quantifying toluene and related aromatic compounds in environmental samples.
• Material Science Research: Utilized in studies investigating reaction mechanisms, kinetics, and catalysis where deuterium labeling provides mechanistic insight.

Basic Information

Product Name	Toluene-3,5-D2
CAS No.	16954-38-4
Molecular Formula	C7H6D2
Molecular Weight	94.15 g/mol
Synonyms	3,5-Dideuteriotoluene; Toluene-d2 (3,5); Benzene, 1-methyl-3,5-dideutero-; Methyl-3,5-d2-benzene; Deuterated Toluene (3,5-); [3,5-2H2]Toluene; Toluene-3,5-dideutero
EINECS	Contact for details

Quality Control

Every batch of Toluene-3,5-D2 is produced and tested under strict quality management protocols to ensure the highest isotopic and chemical purity for research applications. Our products undergo rigorous quality testing, including NMR and MS analysis, to ensure compliance with exacting standards for isotopic enrichment and chemical identity. A comprehensive Certificate of Analysis (COA), detailing isotopic purity, chemical purity, and solvent residue levels, is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area at room temperature (15-25°C). Due to its highly volatile nature, keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Clear, colorless liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 99.0%
Isotopic Purity (NMR/MS)	≥ 98.0 atom % D
Water Content (KF)	≤ 0.1%

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