Description

4-Nitrobenzoic-D4 Acid CAS NO 171777-66-5 is a deuterium-labeled derivative of 4-nitrobenzoic acid, where four hydrogen atoms are replaced by deuterium, serving as a crucial stable isotope-labeled internal standard. This compound is essential for ensuring analytical accuracy and reliability in quantitative mass spectrometry, eliminating matrix effects and instrument variability. It is primarily required by analytical laboratories, pharmaceutical R&D teams, and agrochemical companies engaged in method development, pharmacokinetic studies, and environmental trace analysis.

Application

• Internal Standard for LC-MS/MS: Used as a quantitative reference standard in bioanalytical methods for drug metabolism and pharmacokinetic (DMPK) studies.
• Metabolite Tracing: Enables precise tracking and quantification of metabolites in complex biological matrices using deuterium as a mass tag.
• Pharmaceutical Impurity Profiling: Assists in the accurate determination of related substances and degradation products in active pharmaceutical ingredients (APIs).
• Environmental Analysis: Applied in the detection and quantification of nitroaromatic compound residues in environmental samples.
• Chemical Synthesis Research: Acts as a labeled building block or tracer in mechanistic studies and synthetic pathway elucidation.
• Forensic Toxicology: Supports reliable quantification of target analytes in forensic investigations.

Basic Information

Item	Detail
Product Name	4-Nitrobenzoic-D4 Acid
CAS No.	171777-66-5
Molecular Formula	C7D4H3NO4
Molecular Weight	171.14 g/mol (approx.)
Synonyms	4-Nitrobenzoic-2,3,5,6-d4 Acid; p-Nitrobenzoic-d4 Acid; Benzoic-2,3,5,6-d4 acid, 4-nitro-; Deuterated 4-Nitrobenzoic Acid; 4-Nitrobenzoic Acid-d4; [2,3,5,6-2H4]-4-Nitrobenzoic Acid; 4-NBA-d4; p-Nitrobenzoic Acid-d4
EINECS	Contact for details

Quality Control

Our 4-Nitrobenzoic-D4 Acid is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing to ensure high chemical purity, isotopic enrichment, and batch-to-batch consistency. A comprehensive Certificate of Analysis (COA) is provided, detailing parameters such as assay by HPLC, deuterium enrichment by NMR or MS, and identification. We support compliance with relevant standards for reference materials.

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 and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥98.0% (chemical purity)
Deuterium Enrichment	≥98 atom % D
Water Content (KF)	≤0.5%
Residue on Ignition	≤0.1%

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