Description

Benzene-13C6, 1-Methyl-4-Nitro- (9Ci) is a stable isotope-labeled derivative of 1-methyl-4-nitrobenzene, where all six carbon atoms are the carbon-13 (13C) isotope. This compound is critical for applications requiring high-precision internal standards and tracer studies in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy. It is primarily utilized by analytical laboratories, research institutions, and pharmaceutical developers engaged in quantitative analysis, metabolic pathway elucidation, and environmental fate studies.

Application

• Internal Standard for Quantitative Mass Spectrometry (MS): Serves as a high-purity, isotopically distinct reference compound for the accurate quantification of its non-labeled counterpart or related metabolites in complex matrices.
• Metabolic Tracer Studies: Used in pharmaceutical and biochemical research to track the metabolic pathways and biotransformation of nitroaromatic compounds in biological systems.
• NMR Spectroscopy Solvent & Reference: Provides a valuable 13C-enriched probe for structural analysis and mechanistic studies in organic chemistry and materials science.
• Environmental Analysis: Acts as a labeled standard in the detection and quantification of nitroaromatic pollutants in environmental samples via advanced chromatographic techniques.
• Pharmaceutical Impurity Profiling: Employed in the development and validation of analytical methods to identify and quantify potential genotoxic impurities in active pharmaceutical ingredients (APIs).
• Dye & Intermediate Research: Used in research focused on the synthesis and degradation pathways of nitroaromatic compounds, which are common intermediates in dye and agrochemical manufacturing.

Basic Information

Product Name	Benzene-13C6, 1-Methyl-4-Nitro- (9Ci)
CAS No.	202114-60-1
Molecular Formula	13C6H7NO2
Molecular Weight	141.10 g/mol (for 13C6)
Synonyms	1-Methyl-4-nitrobenzene-13C6; p-Nitrotoluene-13C6; 4-Nitrotoluene-13C6; (Methyl-13C6)nitrobenzene; 4-Methylnitrobenzene-13C6; 1-Nitro-4-methylbenzene-13C6; p-Nitrotoluene (ring-13C6); [13C6]-4-Nitrotoluene
EINECS	Contact for details

Quality Control

Every batch of Benzene-13C6, 1-Methyl-4-Nitro- (9Ci) is produced and analyzed under strict quality protocols to ensure exceptional isotopic and chemical purity. Our products undergo rigorous quality testing, including isotopic enrichment analysis by NMR and quantitative purity assessment by HPLC and GC-MS, to ensure compliance with research and analytical standards. Certificates of Analysis (COA) detailing batch-specific results for isotopic purity, chemical purity, and identity are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. Keep away from heat, sparks, and open flames. Due to its light-sensitive nature, prolonged exposure to light should be avoided.

Specification

Item	Specification
Appearance	Yellow to pale yellow crystalline solid or solution
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC/GC)	≥98% (Chemical Purity)
Isotopic Purity (13C NMR)	≥99 atom % 13C
Isotopic Enrichment	≥99% on each labeled position
Solvent (if supplied as solution)	Specified (e.g., Acetone, Methanol)

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