Description

2-Chlorobenzoic-D4 Acid is a deuterium-labeled analog of 2-chlorobenzoic acid, where four hydrogen atoms are replaced by deuterium. This isotopic labeling is critical for applications requiring high-precision analytical tracking and internal standards, providing unmatched accuracy in quantitative mass spectrometry. It is an essential material for researchers and manufacturers in the pharmaceutical and agrochemical sectors, particularly for drug metabolism and pharmacokinetic (DMPK) studies, environmental fate analysis, and the synthesis of labeled complex molecules.

Application

• Internal Standard for Mass Spectrometry (MS): Serves as a critical quantitative reference standard in LC-MS and GC-MS analysis for accurate measurement of 2-chlorobenzoic acid and related compounds.
• Pharmaceutical Research & DMPK Studies: Used in drug metabolism, pharmacokinetic, and pharmacodynamic studies to trace the absorption, distribution, metabolism, and excretion (ADME) of pharmaceutical candidates.
• Metabolite Identification & Biomarker Research: Enables precise tracking and identification of metabolites in complex biological matrices.
• Environmental Analysis: Applied as a tracer in studies monitoring the environmental fate, degradation pathways, and bioaccumulation of chlorinated aromatic compounds.
• Synthesis of Deuterated Complex Molecules: Acts as a key building block for the synthesis of more complex deuterium-labeled compounds used in various research fields.
• NMR Spectroscopy Solvent & Reagent: Useful in nuclear magnetic resonance (NMR) spectroscopy as a non-interfering agent or for specific mechanistic studies.

Basic Information

Product Name	2-Chlorobenzoic-D4 Acid
CAS No.	1219795-28-4
Molecular Formula	C7D4ClO2
Molecular Weight	~161.57 g/mol
Synonyms	2-Chloro-d4-benzoic Acid; Deuterated 2-Chlorobenzoic Acid; Benzoic-2,3,5,6-d4 Acid, 2-Chloro-; 2-Chlorobenzoic Acid (phenyl-d4); 2-Chlorobenzoic-d4 Acid; 2-CBA-d4; o-Chlorobenzoic-d4 Acid
EINECS	Contact for details

Quality Control

Every batch of 2-Chlorobenzoic-D4 Acid is produced and tested under strict quality management protocols to ensure exceptional isotopic purity and chemical integrity, suitable for sensitive analytical applications. Standard quality parameters include isotopic enrichment (D-atom %), chemical purity by HPLC, and confirmation of structure by NMR and MS. A comprehensive Certificate of Analysis (COA) detailing batch-specific results is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); ensure the container is sealed after each use to minimize exposure to atmospheric humidity.

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 Purity (D-atom %)	≥98.0%
Deuterium Content (MS)	≥4 atoms D
Water Content (KF)	≤0.5%

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