Description

Alpha,Alpha,α-Trifluorotoluene-D5 is a deuterated isotopologue of benzotrifluoride, where five hydrogen atoms are replaced by deuterium, making it a valuable labeled compound. This deuteration provides a stable isotopic label that is crucial for advanced analytical and research applications, offering enhanced spectral properties and metabolic stability in tracer studies. It is primarily sought after by researchers and developers in the pharmaceutical, agrochemical, and material science industries for use as an internal standard, a tracer in reaction mechanism studies, and a precursor for synthesizing deuterated fine chemicals.

Application

• As a deuterated internal standard for quantitative analysis via GC-MS or LC-MS in pharmaceutical and environmental testing.
• As a tracer molecule in mechanistic studies of organic reactions and metabolic pathways.
• As a key precursor or building block in the synthesis of more complex deuterated compounds for research.
• In NMR spectroscopy as a solvent or shift reference, leveraging its distinct deuterium signature.
• For material science research, particularly in studying the effects of isotopic substitution on physical properties.
• In the development of deuterated active pharmaceutical ingredients (APIs) to improve metabolic stability and pharmacokinetic profiles.

Basic Information

Product Name	Alpha,Alpha,α-Trifluorotoluene-D5
CAS No.	164112-72-5
Molecular Formula	C7D5F3
Molecular Weight	152.13 g/mol
Synonyms	Benzotrifluoride-d5; (Trideuteriomethyl)(2H2)benzene-2,3,4,5,6-d5; Phenyl-d5-trifluoromethane; Perdeuterobenzyl trifluoride; α,α,α-Trifluorotoluene-d5; Toluene-α,α,α-d3, ring-d5; Trifluoromethyl-d3-benzene-d5
EINECS	Contact for details

Quality Control

Our Alpha,Alpha,α-Trifluorotoluene-D5 is produced under stringent conditions to ensure high isotopic and chemical purity, meeting the exacting requirements of research and development. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing parameters such as isotopic purity (D atom %), chemical purity by GC, and impurity profiles. We adhere to a robust quality management system, and specifications can be tailored to meet specific project needs upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from strong acids and incompatible organic solvents. The container should be kept tightly sealed to prevent moisture ingress and volatilization.

Specification

Item	Specification
Appearance	Colorless clear liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (D atom %)	≥ 98.0%
Water Content (KF)	≤ 0.1%

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