Description

1-Bromohexane--D2 is a deuterated organic compound where two hydrogen atoms in the hexane chain are replaced by deuterium, a stable hydrogen isotope. This deuteration makes it a valuable labeled reagent for mechanistic studies, metabolic pathway tracing, and as an internal standard in analytical chemistry. It is particularly essential for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors who require precise isotopic labeling for NMR spectroscopy, mass spectrometry, and kinetic isotope effect studies.

Application

• Pharmaceutical Research & Development: Used as a deuterated building block in the synthesis of labeled active pharmaceutical ingredients (APIs) for drug metabolism and pharmacokinetics (DMPK) studies.
• Analytical Chemistry: Serves as a critical internal standard in Gas Chromatography-Mass Spectrometry (GC-MS) and Liquid Chromatography-Mass Spectrometry (LC-MS) for the accurate quantification of bromoalkanes and related compounds.
• Mechanistic Studies: Employed in organic synthesis to investigate reaction mechanisms via kinetic isotope effects (KIE), providing insights into bond-breaking and forming steps.
• NMR Spectroscopy: Acts as a useful solvent or reagent in deuterium NMR (2H NMR) for structural analysis and molecular dynamics studies without proton interference.
• Material Science: Utilized in the synthesis of specialty polymers and liquid crystals where deuterated segments are needed to alter physical properties or for neutron scattering experiments.
• Agrochemical Development: Incorporated into the synthesis of labeled pesticide or herbicide molecules to study environmental fate, degradation pathways, and residue analysis.

Basic Information

Product Name	1-Bromohexane--D2
CAS No.	78904-38-8
Molecular Formula	C6D2H11Br
Molecular Weight	165.07 g/mol (approx.)
Synonyms	Hexyl-d2 Bromide; 1-Bromohexane-d2; n-Hexyl-d2 Bromide; Deuterated 1-Bromohexane; Bromohexane-d2; [1,1-2H2]Hexyl Bromide; 1-Bromo[1,1-2H2]hexane
EINECS	Contact for details

Quality Control

Our 1-Bromohexane--D2 is produced and handled under strict quality management protocols. Each batch undergoes comprehensive analysis to ensure high chemical and isotopic purity, critical for sensitive research applications. Certificates of Analysis (COA) are provided, detailing parameters such as isotopic enrichment (D atom %), chemical purity by GC, and identity confirmation. We support compliance with relevant research and development standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at 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	Colorless to pale yellow liquid
Identification (IR / NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (D atom %)	≥ 98.0%
Water Content (KF)	≤ 0.1%

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