Description

4-Bromo-A,A,A-Trifluorotoluene-D4 is a deuterated aromatic compound where four hydrogen atoms are replaced by deuterium, serving as a stable isotope-labeled analog of 4-bromobenzotrifluoride. This deuteration makes it an invaluable internal standard and tracer in analytical chemistry, particularly for mass spectrometry, ensuring precise quantification and reliable metabolic studies. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors for drug development, environmental analysis, and mechanistic studies.

Application

• Pharmaceutical Research & Development: Acts as a deuterated internal standard in LC-MS and GC-MS for the accurate bioanalysis and pharmacokinetic profiling of drug candidates and metabolites.
• Agrochemical Analysis: Used as a stable isotope-labeled tracer in environmental fate studies and residue analysis of fluorinated pesticides and herbicides.
• Organic Synthesis Intermediate: Serves as a specialized building block for synthesizing deuterated liquid crystals, OLED materials, and other advanced fluorinated compounds.
• Metabolic Pathway Tracing: Enables detailed investigation of biochemical pathways and degradation mechanisms in both medical and environmental science.
• NMR Spectroscopy Solvent & Reagent: Employed as a deuterated solvent or shift reagent in nuclear magnetic resonance (NMR) spectroscopy due to its specific isotopic signature.
• Quality Control & Reference Standard: Provides a high-purity certified reference material (CRM) for calibrating analytical instruments and validating methods in quality control laboratories.

Basic Information

Product Name	4-Bromo-A,A,A-Trifluorotoluene-D4
CAS No.	1219799-09-3
Molecular Formula	C7D4BrF3
Molecular Weight	228.02 g/mol
Synonyms	4-Bromobenzotrifluoride-d4; α,α,α-Trifluoro-4-bromotoluene-d4; 1-Bromo-4-(trifluoromethyl)benzene-d4; p-Bromobenzotrifluoride-d4; 4-Bromo-α,α,α-trifluorotoluene-d4; (Trifluoromethyl)benzene-d4, 4-bromo-; Benzene, 1-bromo-4-(trifluoromethyl)-, ar-d4-; 4-Bromo-α,α,α-trifluorotoluene (phenyl-d4)
EINECS	Contact for details

Quality Control

Our 4-Bromo-A,A,A-Trifluorotoluene-D4 is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR, GC-MS, and HPLC, to ensure high isotopic purity and chemical purity. Certificates of Analysis (COA) detailing batch-specific results for identity, assay, and impurity profiles are available upon request, supporting compliance with research and GMP standards where applicable.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place at a controlled room temperature (15-25°C/59-77°F). Due to its highly volatile nature, ensure containers are securely sealed and stored upright away from heat sources and open flames.

Specification

Item	Specification
Appearance	Colorless to pale yellow clear liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (D-content)	≥ 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.