Description

Benzoic-4-D1 Acid is a deuterated derivative of benzoic acid, where a hydrogen atom at the 4-position is replaced by a stable deuterium isotope. This isotopic labeling is critical for applications requiring precise molecular tracking and reduced metabolic interference. It is an essential building block and analytical standard in advanced research and development. Key industries that utilize this compound include pharmaceutical development, agrochemical research, and analytical chemistry for mass spectrometry and NMR spectroscopy.

Application

• Pharmaceutical Research: Used as an internal standard or a stable isotope-labeled tracer in drug metabolism and pharmacokinetics (DMPK) studies.
• Analytical Chemistry: Serves as a critical reference standard in quantitative mass spectrometry (LC-MS, GC-MS) and nuclear magnetic resonance (NMR) spectroscopy.
• Agrochemical Development: Employed in the synthesis and metabolic pathway analysis of novel pesticides and herbicides.
• Chemical Synthesis: Acts as a deuterated precursor or intermediate in the synthesis of more complex labeled compounds for research.
• Material Science: Utilized in studies investigating reaction mechanisms and isotopic effects in various chemical processes.

Basic Information

Product Name	Benzoic-4-D1 Acid
CAS No.	4551-62-6
Molecular Formula	C7H5DO2
Molecular Weight	123.13 g/mol
Synonyms	4-Deuterobenzoic Acid; Benzoic-d1 Acid; [2H1]-Benzoic Acid (4-2H); 4-Deutero-benzoic Acid; 4-D-Benzoic Acid; Deuteriobenzoic Acid; Benzoic Acid-4-d; p-Deuterobenzoic Acid
EINECS	Contact for details

Quality Control

Our Benzoic-4-D1 Acid is produced under strict quality management protocols to ensure high isotopic purity and chemical integrity. Each batch is characterized by advanced analytical techniques including NMR and mass spectrometry to confirm deuterium incorporation and chemical purity. A comprehensive Certificate of Analysis (COA) detailing isotopic enrichment, assay, and impurity profiles is provided with every shipment to support your research and compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Isotopic Purity (Deuterium Content)	≥ 98 atom % D
Assay (HPLC)	≥ 98.0%
Chemical Purity (Benzoic Acid)	≤ 2.0%
Water Content (KF)	≤ 0.5%

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