Description

4-Nitro-A,A,A-Trifluorotoluene-D4 is a deuterated isotopologue of 4-nitro-α,α,α-trifluorotoluene, where four hydrogen atoms are replaced by deuterium. This high-purity labeled compound is essential for applications requiring precise analytical tracking and reduced signal interference. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors for use as a stable isotope-labeled intermediate, internal standard, or tracer in mass spectrometry and NMR studies.

Application

• Pharmaceutical Research & Development: Serves as a deuterated building block or internal standard in the synthesis and quantitative analysis of novel drug candidates and metabolites.
• Agrochemical Analysis: Used as a labeled standard in environmental fate studies, residue analysis, and metabolic pathway investigations for fluorinated agrochemicals.
• Advanced Material Synthesis: Acts as a precursor or intermediate in the development of specialty polymers, liquid crystals, and electronic materials where isotopic labeling is required.
• Analytical Chemistry: Employed as a critical internal standard in Gas Chromatography-Mass Spectrometry (GC-MS) and Liquid Chromatography-Mass Spectrometry (LC-MS) to ensure accuracy and precision in quantitative assays.
• Mechanistic Studies: Facilitates reaction mechanism elucidation and kinetic isotope effect (KIE) studies in organic and organofluorine chemistry due to its deuterium labels.

Basic Information

Product Name	4-Nitro-A,A,A-Trifluorotoluene-D4
CAS No.	1219804-05-3
Molecular Formula	C7D4F3NO2
Molecular Weight	199.13 g/mol
Synonyms	4-Nitro-α,α,α-trifluorotoluene-d4; (Trideuteriomethyl)(2H)benzene, 1-nitro-4-(trifluoromethyl)-; 1-Nitro-4-(trifluoromethyl)benzene-α,α,α-d3-d; 4-Nitrobenzotrifluoride-d4; 4-Nitro-α,α,α-trifluorotoluene (phenyl-d4, methyl-d3); p-Nitrobenzotrifluoride-d4; 4-Nitro-(trifluoromethyl)benzene-d4; 4-NBTF-d4
EINECS	Contact for details

Quality Control

Our 4-Nitro-A,A,A-Trifluorotoluene-D4 is manufactured under strict quality systems. Each batch undergoes comprehensive analytical testing, including NMR (¹H, ¹³C, ¹⁹F) and Mass Spectrometry to confirm isotopic purity and chemical identity, and HPLC/GC for chemical purity assessment. A detailed Certificate of Analysis (COA) documenting isotopic enrichment (typically >98 atom % D), chemical purity, and specific tests is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Keep away from strong acids and incompatible organic solvents. For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.

Specification

Item	Specification
Appearance	Yellow to pale brown crystalline solid or liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC/GC)	≥98.0%
Isotopic Purity (Atom % D)	≥98% (by MS or NMR)
Water Content (KF)	≤0.5%

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