Description

2-[3-(Bromomethyl)-5-(2-Cyano-1,1,1,3,3,3-Hexadeuteriopropan-2-Yl)Phenyl]-3,3,3-Trideuterio-2-(Trideuteriomethyl)Propanenitrile is a deuterated organic compound featuring a bromomethyl functional group and multiple nitrile groups, designed for advanced research and development applications. This high-value specialty chemical is critical for isotopic labeling studies, enabling precise tracking and analysis in complex chemical and biological systems. It serves as a key intermediate or building block for pharmaceutical, agrochemical, and material science researchers requiring deuterium-labeled compounds to investigate metabolic pathways, reaction mechanisms, and material properties.

Application

• Pharmaceutical Research: As a deuterated intermediate in the synthesis of novel Active Pharmaceutical Ingredients (APIs) for drug discovery and development, particularly in metabolic stability and pharmacokinetic (DMPK) studies.
• Agrochemical Development: Used in creating deuterium-labeled pesticides or herbicides to study environmental fate, degradation pathways, and metabolic profiles in plants.
• Analytical Chemistry: Serves as an internal standard or reference material in mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy for quantitative analysis.
• Material Science: As a precursor for synthesizing deuterated polymers or organic electronic materials to study structure-property relationships and enhance device performance.
• Mechanistic Studies: Employed in isotopic labeling experiments to elucidate complex organic reaction mechanisms and catalytic cycles.
• Metabolomics & Proteomics: A potential building block for creating probes or tags used in tracking and identifying biomolecules within biological systems.

Basic Information

Item	Details
Product Name	2-[3-(Bromomethyl)-5-(2-Cyano-1,1,1,3,3,3-Hexadeuteriopropan-2-Yl)Phenyl]-3,3,3-Trideuterio-2-(Trideuteriomethyl)Propanenitrile
CAS No.	1185016-59-4
Molecular Formula	C16H11D9BrN2
Molecular Weight	Contact for details
Synonyms	Deuterated Bromomethyl Dinitrile Intermediate; 2-[3-(Bromomethyl)-5-(2-cyano-1,1,1,3,3,3-hexadeuterio-propan-2-yl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile; 1,3-Bis(2-cyano-2-propyl)-5-(bromomethyl)benzene-d9; D9-Labeled Aromatic Bromonitrile; (Bromomethyl)-D9-Bis(α-cyanocumyl)benzene; Deutero-Br-MDBN; Isotopically Labeled Aromatic Building Block
EINECS	Contact for details

Quality Control

Every batch of our deuterated chemicals is produced and tested under strict quality management protocols. We guarantee high isotopic purity and chemical purity, supported by comprehensive analytical data from techniques including NMR (¹H, ¹³C, ²H), HPLC, and Mass Spectrometry. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting purity, isotopic enrichment (D-content), and identity. Our quality systems support compliance with relevant research and development standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep the container sealed to protect this light-sensitive and moisture-sensitive compound from degradation. For long-term storage, consider inert atmosphere conditions.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95% (Area %)
Isotopic Purity (Deuterium Content)	≥ 98 atom % D (by MS or NMR)
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.