Description

2-Benzyloxy-3-Nitro-Benzoic Acid-13C6 Benzyl Ester is a stable isotope-labeled derivative of a benzyl-protected nitrobenzoic acid, specifically incorporating a carbon-13 (13C) labeled benzyl moiety. This compound is of critical importance as a high-purity internal standard and reference material for quantitative mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. It is primarily required by analytical laboratories and R&D departments in the pharmaceutical, agrochemical, and environmental testing sectors for method development, validation, and precise quantification in complex matrices.

Application

• Internal Standard for LC-MS/MS: Used for the accurate quantification of related active pharmaceutical ingredients (APIs) or metabolites in bioanalytical studies (DMPK, pharmacokinetics).
• NMR Spectroscopy Reference: Serves as a chemical shift and isotopic enrichment standard in structural elucidation and metabolic pathway research.
• Pharmaceutical Impurity Profiling: Employed as a certified reference material to identify and quantify process-related impurities or degradation products.
• Metabolite Tracing Studies: Facilitates the tracking of the labeled benzyl group in in vitro and in vivo metabolism studies.
• Method Development & Validation: Essential for developing robust, sensitive, and specific analytical methods in compliance with ICH Q2(R1) guidelines.
• Environmental Fate Studies: Used to trace the environmental degradation and transformation of related chemical compounds.

Basic Information

Product Name	2-Benzyloxy-3-Nitro-Benzoic Acid-13C6 Benzyl Ester
CAS No.	1330265-54-7
Molecular Formula	C21H1513C6NO5
Molecular Weight	~411.36 g/mol (for 13C6 labeled form)
Synonyms	Benzoic acid, 2-(benzyloxy)-3-nitro-, phenylmethyl ester-13C6; 3-Nitro-2-(phenylmethoxy)benzoic acid phenylmethyl ester-13C6; Benzyl 2-benzyloxy-3-nitrobenzoate-13C6; 13C6-Labeled 2-Benzyloxy-3-nitrobenzoic Acid Benzyl Ester; Isotopically Labeled Benzyl Ester; Stable Isotope-Labeled Internal Standard (IS); MS Standard; NMR Tracer.
EINECS	Contact for details

Quality Control

Our stable isotope-labeled compounds are produced and tested under stringent conditions to ensure exceptional isotopic purity and chemical integrity, meeting the exacting requirements of analytical reference standards. Each batch is accompanied by a comprehensive Certificate of Analysis (COA) detailing chemical purity (by HPLC), isotopic enrichment (by MS), and structural confirmation (by NMR and IR). We adhere to relevant quality management frameworks to support your regulatory submissions.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry environment. For long-term stability, consider storage at 2-8°C. Handle and store under inert atmosphere if specified for the specific lot.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥98.0%
Isotopic Enrichment (MS)	≥99 atom % 13C
Chemical Purity (by titration)	Contact for details
Residual Solvents (GC)	Complies with ICH Q3C
Water Content (KF)	≤0.5%

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