Description

4-Nitrotoluene-2,3,5,6-D4 is a deuterium-labeled isotopologue of 4-nitrotoluene, a key aromatic nitro compound. This labeled standard is essential for analytical applications requiring high specificity and minimal background interference, such as quantitative mass spectrometry and metabolic pathway tracing. It is primarily used by research institutions, pharmaceutical R&D laboratories, and analytical service providers engaged in advanced chemical analysis, environmental testing, and drug metabolism studies.

Application

• Internal Standard for Mass Spectrometry (MS): Serves as a critical quantitative reference in GC-MS and LC-MS analyses for accurate measurement of 4-nitrotoluene and related compounds.
• Metabolic Pathway Tracing: Used in pharmaceutical and biochemical research to study the metabolic fate and degradation pathways of nitroaromatic compounds.
• Environmental Analysis: Employed as a labeled tracer in the detection and quantification of nitrotoluene pollutants in soil and water samples.
• NMR Spectroscopy Solvent: Acts as a deuterated solvent or shift reference in nuclear magnetic resonance (NMR) spectroscopy studies.
• Chemical Synthesis Research: Utilized as a building block in the synthesis of deuterium-labeled complex molecules for mechanistic studies.
• Quality Control & Method Development: Essential for developing and validating analytical methods in industrial and regulatory laboratories.

Basic Information

Product Name	4-Nitrotoluene-2,3,5,6-D4
CAS No.	1276197-16-0
Molecular Formula	C7H3D4NO2
Molecular Weight	141.16 g/mol
Synonyms	4-Nitrotoluene-d4; p-Nitrotoluene-d4; 1-Methyl-4-nitrobenzene-2,3,5,6-d4; Toluene-d4, 4-nitro-; Deuterated 4-Nitrotoluene; [2,3,5,6-2H4]-4-Nitrotoluene; p-Nitrotoluene (phenyl-d4)
EINECS	Contact for details

Quality Control

Our 4-Nitrotoluene-2,3,5,6-D4 is produced under strict quality management protocols. Each batch undergoes comprehensive analysis to ensure high chemical purity and isotopic enrichment. Certificates of Analysis (COA) are provided, detailing specifications for isotopic purity (D-enrichment), chemical purity (by GC or HPLC), and identity confirmation (by NMR and/or IR). We support research and industrial standards, and specifications can be aligned with customer requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider storage under an inert atmosphere to maintain isotopic integrity.

Specification

Item	Specification
Appearance	Yellow to light brown crystalline solid or liquid
Identification (IR)	Conforms to structure
Purity (HPLC/GC)	≥98.0% (chemical purity)
Isotopic Purity (D-enrichment)	≥98 atom % D
Water Content (KF)	≤0.5%
NMR Analysis	Conforms (1H and/or 13C NMR provided)

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