Description

α,α,α-Trifluoro-p-Toluic-Carboxy-13C Acid is a stable isotope-labeled derivative of α,α,α-trifluoro-p-toluic acid, where the carboxylic carbon is enriched with carbon-13. This compound is a critical building block for the synthesis of isotopically labeled molecules used in advanced analytical and research applications. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and material science industries who require precise molecular tracking and quantification.

Application

• Pharmaceutical Research & Development: As a key intermediate in the synthesis of carbon-13 labeled active pharmaceutical ingredients (APIs) for drug metabolism and pharmacokinetic (DMPK) studies.
• Analytical Chemistry Standards: Serves as an internal standard or reference material in quantitative mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy for accurate bioanalysis.
• Agrochemical Development: Used in the creation of isotopically labeled pesticides or herbicides to study environmental fate, degradation pathways, and residue analysis.
• Metabolomics & Proteomics: Enables precise tracking of metabolic pathways and protein interactions in complex biological systems.
• Material Science Research: A precursor for synthesizing advanced fluorinated polymers or liquid crystals with labeled moieties for structural and dynamic studies.
• Contract Research Organizations (CROs): Essential for clients requiring custom synthesis of labeled compounds for regulatory submission support.

Basic Information

Product Name	α,α,α-Trifluoro-p-Toluic-Carboxy-13C Acid
CAS No.	698999-46-1
Molecular Formula	C8H5F313CO2H
Molecular Weight	~206.11 g/mol (for 13C labeled form)
Synonyms	4-(Trifluoromethyl)benzoic-13C acid; α,α,α-Trifluoro-p-toluic-13C acid; 4-(Trifluoromethyl)benzoic acid (carboxy-13C); p-(Trifluoromethyl)benzoic-13C acid; 4-Carboxybenzotrifluoride-13C; TFMBA-13C; [13C]Carboxy-α,α,α-trifluoro-p-toluic acid
EINECS	Contact for details

Quality Control

Our α,α,α-Trifluoro-p-Toluic-Carboxy-13C Acid is manufactured under strict quality control protocols to ensure the highest isotopic and chemical purity for research applications. Each batch is accompanied by a comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (typically ≥99 atom % 13C), chemical purity (by HPLC/NMR), and identity confirmation. We support compliance with cGMP standards for advanced research and development purposes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability. Keep away from strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
13C Isotopic Enrichment	≥99 atom % 13C
Chemical Purity (HPLC)	≥98.0%
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.