Description

1-Bromooctane-1,1-D2 is a deuterium-labeled alkyl bromide, a valuable isotopically modified building block for advanced chemical synthesis. This compound is essential for researchers and manufacturers requiring precise molecular labeling for mechanistic studies, metabolic pathway tracing, and the development of novel materials. It is particularly critical for the pharmaceutical, agrochemical, and advanced materials sectors where deuterium incorporation is used to modify the pharmacokinetic and stability profiles of target molecules.

Application

• Pharmaceutical Intermediate: Used in the synthesis of deuterated active pharmaceutical ingredients (APIs) for drug discovery and development, leveraging the kinetic isotope effect.
• Metabolic Tracer: Serves as a stable isotope-labeled precursor in mass spectrometry and NMR-based metabolic studies and pharmacokinetic research.
• Agrochemical Research: Employed in creating labeled analogs of pesticides and herbicides to study environmental fate, degradation pathways, and bioaccumulation.
• Organic Synthesis Building Block: Acts as a versatile reagent for nucleophilic substitution reactions (SN2) to introduce the octyl chain with a deuterium label at the alpha position.
• Material Science: Utilized in the preparation of specialty polymers, liquid crystals, or surface-active agents where deuterium labeling aids in structural analysis using techniques like neutron scattering.
• Analytical Standard: Functions as a certified reference material (CRM) or internal standard for quantitative analysis in environmental and biological testing laboratories.

Basic Information

Product Name	1-Bromooctane-1,1-D2
CAS No.	86423-34-9
Molecular Formula	C8H15D2Br
Molecular Weight	195.12 g/mol (approx.)
Synonyms	Octyl-1,1-d2 Bromide; 1-Bromo-n-octane-1,1-d2; n-Octyl-1,1-d2 Bromide; (1,1-Dideuteriooctyl)bromide; Deuterated Octyl Bromide; 1-Bromooctane-d2; Bromooctane-1,1-d2
EINECS	Contact for details

Quality Control

Our 1-Bromooctane-1,1-D2 is produced under strict quality management protocols. Each batch is characterized by advanced analytical techniques including NMR, GC-MS, and HPLC to confirm isotopic purity, chemical purity, and identity. Certificates of Analysis (COA) detailing lot-specific results for assay, isotopic enrichment, and impurity profiles are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area away from incompatible materials such as strong bases and strong oxidizing agents. Recommended storage temperature is 2-8°C for long-term stability. Keep container tightly sealed when not in use to prevent moisture absorption and degradation.

Specification

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