Description

Toluene-4-D1 is a deuterated isotopologue of toluene, specifically labeled at the para position. This compound is a critical stable isotope-labeled standard, essential for ensuring accuracy and traceability in advanced analytical techniques. It is primarily utilized by research scientists and quality control laboratories in the pharmaceutical, agrochemical, and environmental sectors for applications requiring precise internal standardization and metabolic pathway elucidation.

Application

• Internal Standard for Mass Spectrometry (MS): Serves as a crucial reference compound in GC-MS and LC-MS analyses for quantitative determination of toluene and related compounds, correcting for instrument variability and sample preparation losses.
• NMR Spectroscopy Solvent & Reagent: Used as a deuterated solvent or a labeled starting material in Nuclear Magnetic Resonance (NMR) studies to prevent signal interference and track molecular transformations.
• Pharmaceutical Research & Metabolism Studies: Enables the tracing of drug metabolites and the study of pharmacokinetics and biochemical pathways without interference from endogenous compounds.
• Environmental Analysis & Forensics: Acts as a tracer in environmental fate studies, pollution source identification, and forensic investigations involving hydrocarbon contamination.
• Chemical Synthesis Intermediate: Employed as a building block in the synthesis of more complex deuterated organic compounds for research and development.
• Polymer Science Research: Used in studies investigating polymerization mechanisms, polymer degradation, and the diffusion of small molecules within polymer matrices.

Basic Information

Product Name	Toluene-4-D1
CAS No.	4409-83-0
Molecular Formula	C7H7D
Molecular Weight	93.15 g/mol
Synonyms	4-Deuterotoluene; p-Deuterotoluene; Toluene-d1 (para); Methyl-d1-benzene (para); 1-Deuterio-4-methylbenzene; [2H]Toluene (para); p-Methylphenyl-d; Benzene, 1-methyl-4-(2H)-
EINECS	Contact for details

Quality Control

Every batch of Toluene-4-D1 is produced and analyzed under stringent quality protocols to ensure isotopic and chemical purity meets the exacting demands of analytical research. Our products undergo rigorous quality testing, including NMR and MS verification of deuteration level and chemical identity. Certificates of Analysis (COA) detailing lot-specific results for assay, isotopic enrichment, and impurity profiles are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat sources and incompatible materials such as strong oxidizers. Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use to prevent evaporation and potential concentration changes.

Specification

Item	Specification
Appearance	Colorless clear liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Enrichment (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.