Description

5-Amino-2-Cyanobenzotrifluoride-D3 is a deuterated aromatic compound, specifically a trifluoromethyl-substituted aniline derivative. This isotopically labeled analog is a critical building block for the synthesis of deuterated active pharmaceutical ingredients (APIs) and advanced materials. It is primarily utilized by research institutions and pharmaceutical companies engaged in drug discovery, development, and metabolic studies.

Application

• Deuterated Pharmaceutical Intermediates: A key precursor for synthesizing deuterium-labeled drug candidates to study pharmacokinetics, metabolic pathways, and to potentially enhance drug efficacy and stability.
• Metabolic Research & Tracer Studies: Used in mass spectrometry and NMR-based assays as an internal standard for the accurate quantification of metabolites and parent compounds in biological matrices.
• Agrochemical Research: Serves as a building block for developing novel, labeled agrochemicals to study environmental fate, degradation, and residue analysis.
• Material Science: Potential use in the development of specialty polymers and advanced organic electronic materials where deuterium substitution can modify physical properties.
• Analytical Reference Standard: Employed as a certified reference material (CRM) in analytical laboratories for method development and validation in regulatory testing.

Basic Information

Product Name	5-Amino-2-Cyanobenzotrifluoride-D3
CAS No.	1329792-44-0
Molecular Formula	C8H2D3F3N2
Molecular Weight	189.14 g/mol
Synonyms	2-Cyano-5-aminobenzotrifluoride-D3; 5-Amino-2-(trifluoromethyl)benzonitrile-D3; 2-Amino-5-cyanobenzotrifluoride-D3; 3-Amino-6-(trifluoromethyl)benzonitrile-D3; Benzonitrile, 5-amino-2-(trifluoromethyl)-, D3-labeled; 2-(Trifluoromethyl)-5-aminobenzonitrile-D3; Deuterated 5-Amino-2-Cyanobenzotrifluoride
EINECS	Contact for details

Quality Control

Our 5-Amino-2-Cyanobenzotrifluoride-D3 is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including NMR (for deuterium incorporation), HPLC, and GC-MS, to ensure high chemical and isotopic purity. Certificates of Analysis (COA) detailing batch-specific results for identity, assay, and impurity profile are provided and available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from heat sources and incompatible materials.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure (D-incorporation ≥ specified)
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D-content)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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