Description

4-Chloro-A,A,A-Trifluorotoluene-D4 is a deuterated analog of 4-chloro-α,α,α-trifluorotoluene, serving as a critical isotopically labeled building block in advanced chemical synthesis. This compound is essential for researchers and manufacturers requiring precise molecular tracking and spectroscopic studies without altering the chemical's fundamental reactivity. It is primarily utilized in the development and analysis of pharmaceuticals, agrochemicals, and advanced materials, where deuterium labeling is used to investigate metabolic pathways, reaction mechanisms, and material properties.

Application

• Pharmaceutical Intermediate: Used as a deuterated synthon in the research and development of novel Active Pharmaceutical Ingredients (APIs), particularly for metabolism and pharmacokinetic (DMPK) studies.
• Agrochemical Research: Employed in the synthesis of labeled pesticide and herbicide analogs to study environmental fate, degradation, and bioaccumulation.
• Analytical Standard: Serves as an internal standard or reference material in quantitative mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy for accurate assay measurements.
• Material Science: Acts as a precursor in the synthesis of deuterated polymers, liquid crystals, or organic electronic materials to modify and study physical properties.
• Mechanistic Studies: Utilized in organic chemistry research to elucidate reaction mechanisms via kinetic isotope effect (KIE) experiments.
• NMR Solvent & Reagent: Can be used as a deuterated solvent or shift reagent in specialized NMR applications.

Basic Information

Product Name	4-Chloro-A,A,A-Trifluorotoluene-D4
CAS No.	1219804-33-7
Molecular Formula	C7D4H3ClF3
Molecular Weight	183.57 g/mol
Synonyms	4-Chloro-α,α,α-trifluorotoluene-d4; p-Chlorobenzotrifluoride-d4; 4-Chlorobenzotrifluoride-d4; 1-Chloro-4-(trifluoromethyl)benzene-d4; (Trifluoromethyl)benzene-d4, 4-chloro-; PCBTF-d4; 4-CTF-d4; Deuteronated 4-Chlorobenzotrifluoride
EINECS	Contact for details

Quality Control

Our 4-Chloro-A,A,A-Trifluorotoluene-D4 is produced under strict quality management systems. Each batch undergoes comprehensive analytical testing, including NMR (¹H, ¹⁹F, ¹³C) and GC-MS to confirm chemical identity, isotopic purity (D-enrichment), and chemical purity. Certificates of Analysis (COA) detailing batch-specific results for assay, isotopic enrichment, and impurity profiles are available upon request. We support compliance with relevant regulatory frameworks for labeled compounds.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat sources and incompatible materials. Due to its highly volatile nature, ensure containers are securely sealed when not in use. Recommended storage temperature is 2-8°C for long-term stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (D-enrichment)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%

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