Description

4-Fluorotoluene-α-D1 is a deuterated isotopologue of 4-fluorotoluene, a valuable building block in synthetic organic chemistry. This compound is specifically designed for applications requiring a stable, non-radioactive isotopic label, offering unique advantages in reaction mechanism studies and analytical method development. It is primarily utilized by researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors for deuterium labeling, NMR spectroscopy, and mass spectrometry.

Application

• Deuterium Labeling in Pharmaceutical Intermediates: Used as a stable isotopic tracer in the synthesis of deuterated drug candidates to study metabolic pathways and improve pharmacokinetic profiles.
• NMR Spectroscopy Solvent & Standard: Serves as a useful solvent or internal standard in nuclear magnetic resonance (NMR) spectroscopy due to its distinct spectral properties.
• Mechanistic Studies in Organic Synthesis: Employed to investigate reaction mechanisms, including kinetic isotope effects (KIE), in fluorination and cross-coupling reactions.
• Mass Spectrometry Tracer: Acts as a non-radioactive internal standard in LC-MS and GC-MS for quantitative analysis and method validation.
• Synthesis of Specialty Chemicals: A key precursor for synthesizing deuterated liquid crystals, OLED materials, and other advanced functional materials.
• Agrochemical Research: Used in the development of deuterated pesticides and herbicides to study environmental fate and degradation.

Basic Information

Product Name	4-Fluorotoluene-α-D1
CAS No.	131088-90-9
Molecular Formula	C7H6DF
Molecular Weight	111.13 g/mol
Synonyms	1-Deutero-4-fluorotoluene; 4-Fluoro-α-deuteriotoluene; p-Fluorotoluene-α-d1; (Deuteriomethyl)benzene, 4-fluoro-; 4-Methylfluorobenzene-α-d1; α-Deuterio-p-fluorotoluene; 4-Fluorobenzyl-d1; p-Fluorobenzyl-d1
EINECS	Contact for details

Quality Control

Our 4-Fluorotoluene-α-D1 is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including NMR, GC, and GC-MS, to confirm chemical identity, isotopic purity (D-enrichment), and chemical purity. Certificates of Analysis (COA) detailing all specifications are provided with every shipment to ensure traceability and compliance with your research and development requirements.

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 kept tightly sealed when not in use. Recommended storage temperature: 2-8°C for long-term stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (GC)	≥ 98.0%
Deuterium Enrichment	≥ 98 atom % D
Water Content (KF)	≤ 0.1%

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