Description

4-Fluorotoluene-Alpha,Alpha,α-D3 is a deuterated isotopologue of 4-fluorotoluene, where the three hydrogen atoms of the methyl group are replaced by deuterium. This compound is a critical building block and analytical standard in advanced chemical research and development, offering unique properties for mechanistic studies and spectroscopic applications. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for applications requiring isotopic labeling.

Application

• Deuterated NMR Solvent & Internal Standard: Used as a non-interfering solvent or chemical shift reference in nuclear magnetic resonance (NMR) spectroscopy.
• Mechanistic Reaction Studies: Serves as a tracer or probe in kinetic isotope effect (KIE) studies to elucidate reaction mechanisms in organic synthesis.
• Pharmaceutical Intermediate: Acts as a labeled precursor in the synthesis of deuterated active pharmaceutical ingredients (APIs) for metabolic stability and bioavailability studies.
• Mass Spectrometry Standard: Employed as an internal standard for quantitative analysis via GC-MS or LC-MS due to its distinct mass signature.
• Material Science Research: Used in the development of specialty polymers and liquid crystals where isotopic purity influences physical properties.
• Agrochemical Research: Facilitates the study of pesticide and herbicide metabolism and environmental fate using labeled compounds.

Basic Information

Product Name	4-Fluorotoluene-Alpha,Alpha,α-D3
CAS No.	4202-91-9
Molecular Formula	C7H4D3F
Molecular Weight	113.15 g/mol
Synonyms	1-Fluoro-4-(trideuteriomethyl)benzene; p-Fluorotoluene-d3; 4-Methylfluorobenzene-d3; (Trideuteriomethyl)fluorobenzene; p-(Trideuteriomethyl)fluorobenzene; α,α,α-Trideutero-p-fluorotoluene; 4-Fluorotoluene-d3; Fluorobenzene-d3, 4-methyl-
EINECS	Contact for details

Quality Control

Our 4-Fluorotoluene-Alpha,Alpha,α-D3 is produced under strict quality protocols to ensure high isotopic and chemical purity suitable for sensitive research applications. Each batch is characterized by NMR, GC-MS, and other analytical techniques to confirm identity, purity, and deuterium enrichment. A comprehensive Certificate of Analysis (COA) detailing isotopic purity (e.g., D atom %), chemical purity, and solvent residues is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat sources and incompatible materials such as strong acids and strong oxidizing agents. Due to its highly volatile nature, ensure containers are securely sealed to prevent evaporation and moisture ingress.

Specification

Item	Specification
Appearance	Clear, colorless 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.