Description

2,5-Bis(2,2,2-Trifluoroethoxy)Benzoic Acid-D3 is a deuterated isotopologue of a fluorinated benzoic acid derivative, serving as a critical stable isotope-labeled compound for advanced research and development. Its core value lies in providing a non-radioactive tracer with distinct mass spectral properties, enabling precise metabolic and pharmacokinetic studies. This high-purity material is essential for scientists and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry sectors who require reliable internal standards for mass spectrometry and NMR spectroscopy.

Application

• Primary use as a stable isotope-labeled internal standard for quantitative LC-MS/MS and GC-MS analysis in bioanalytical and environmental testing.
• Key intermediate in the synthesis of deuterated active pharmaceutical ingredients (APIs) for drug metabolism and pharmacokinetics (DMPK) studies.
• Critical reagent for mechanistic research in medicinal chemistry, particularly for compounds containing the 2,5-bis(trifluoroethoxy)benzoyl moiety.
• Used in the development of isotope dilution mass spectrometry (IDMS) methods to achieve superior accuracy and precision in quantification.
• Valuable building block for creating deuterium-labeled agrochemicals to study environmental fate, degradation pathways, and residue analysis.
• Tool compound for NMR spectroscopy, where deuterium labeling simplifies spectra and aids in structural elucidation of complex molecules.

Basic Information

Product Name	2,5-Bis(2,2,2-Trifluoroethoxy)Benzoic Acid-D3
CAS No.	1330172-70-7
Molecular Formula	C11H4D3F6O4
Molecular Weight	314.17 g/mol (for deuterated form)
Synonyms	Benzoic-2,3,6-d3 Acid, 2,5-Bis(2,2,2-trifluoroethoxy)-; 2,5-Bis(2,2,2-Trifluoroethoxy)Benzoic Acid (Deuterated); 2,5-Bis(2,2,2-Trifluoroethoxy)benzoic-2,3,6-d3 Acid; Deuterated 2,5-Bis(TFE) Benzoic Acid; 2,5-Bis(2,2,2-Trifluoroethoxy)benzoic Acid-d3; [2,3,6-2H3]-2,5-Bis(2,2,2-trifluoroethoxy)benzoic Acid
EINECS	Contact for details

Quality Control

Our 2,5-Bis(2,2,2-Trifluoroethoxy)Benzoic Acid-D3 is manufactured under strict quality systems to ensure the high isotopic purity and chemical integrity required for sensitive analytical applications. Each batch undergoes comprehensive analysis, including HPLC for chemical purity, NMR and MS for structural and isotopic confirmation, and Karl Fischer titration for moisture content. A detailed Certificate of Analysis (COA) specifying isotopic enrichment (D-atom %), chemical purity, and impurity profile is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); therefore, the container must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure and deuterium labeling pattern
Purity (HPLC)	≥ 98.0%
Isotopic Purity (MS)	≥ 98.0 atom % D (d3)
Water Content (KF)	≤ 0.5% w/w
Residue on Ignition	≤ 0.1%

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