Description

Toluene-2-D1 is a deuterated isotopologue of toluene, specifically labeled at the ortho position. This compound is a crucial stable isotope-labeled standard, providing a non-radioactive tracer for advanced analytical and research applications. It is primarily utilized by analytical chemists and researchers in the pharmaceutical, agrochemical, and material science industries for applications such as internal standards in mass spectrometry and mechanistic studies.

Application

• Internal Standard for Quantitative Analysis: Used in GC-MS and LC-MS for the accurate quantification of toluene and related aromatic compounds in complex matrices.
• Mechanistic Reaction Studies: Serves as a tracer in kinetic isotope effect (KIE) studies to elucidate reaction pathways and mechanisms in organic synthesis and catalysis.
• NMR Spectroscopy Solvent & Reference: Acts as a deuterated solvent or chemical shift reference in nuclear magnetic resonance (NMR) spectroscopy, particularly for proton NMR.
• Pharmaceutical Metabolism Research: Employed in drug metabolism and pharmacokinetics (DMPK) studies to track the fate of toluene-derived fragments in biological systems.
• Polymer and Material Science: Used in the synthesis and analysis of deuterated polymers and advanced materials to study structure-property relationships.
• Environmental Analysis: Functions as a standard in the detection and monitoring of volatile organic compounds (VOCs) like toluene in environmental samples.

Basic Information

Product Name	Toluene-2-D1
CAS No.	4409-84-1
Molecular Formula	C7H7D
Molecular Weight	93.15 g/mol
Synonyms	2-Deuteriotoluene; ortho-Deuteriotoluene; Toluene-d1 (ortho); Methyl-ortho-d-benzene; (2-Deuteriophenyl)methane; 2H-Toluene; Toluene-2-d; Benzene, methyl-2-d-
EINECS	Contact for details

Quality Control

Every batch of Toluene-2-D1 is produced and analyzed under strict quality management protocols. We guarantee high chemical and isotopic purity, with comprehensive testing via NMR, GC-MS, and IR spectroscopy. A detailed Certificate of Analysis (COA) is provided with each shipment, confirming identity, purity (typically >98% chemical purity, >99% deuterium incorporation), and absence of key impurities.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat and ignition sources. Due to its highly volatile nature, ensure containers are kept upright and sealed when not in use. Recommended storage temperature is 2-8°C for long-term stability.

Specification

Item	Specification
Appearance	Clear, colorless liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Deuterium Incorporation (NMR)	≥ 99.0 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.