Description

Allyl-2-D1 Bromide is a deuterated alkyl halide of significant interest in advanced chemical synthesis and research. This compound serves as a crucial building block for introducing a labeled allyl moiety, enabling precise mechanistic studies and the development of novel materials. It is particularly valuable for researchers and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries who require deuterium-labeled intermediates for tracer studies, metabolic research, or to modify the physicochemical properties of target molecules.

Application

• Pharmaceutical Intermediate: Used in the synthesis of deuterium-labeled active pharmaceutical ingredients (APIs) for drug metabolism and pharmacokinetics (DMPK) studies.
• Agrochemical Research: Acts as a key precursor for developing labeled agrochemicals to study environmental fate, degradation pathways, and residue analysis.
• Organic Synthesis Building Block: Employed in Grignard reactions, nucleophilic substitutions, and transition-metal catalyzed cross-couplings to incorporate a deuterated allyl group.
• Material Science: Utilized in the preparation of specialty polymers and advanced materials where deuterium labeling is used to study structure-property relationships via techniques like neutron scattering.
• Analytical Standard: Serves as a certified reference material (CRM) or internal standard in mass spectrometry-based quantitative analysis.
• Mechanistic Probes: Essential for isotopic labeling experiments to elucidate reaction mechanisms in academic and industrial R&D settings.

Basic Information

Product Name	Allyl-2-D1 Bromide
CAS No.	60468-26-0
Molecular Formula	C₃H₄DBr
Molecular Weight	135.98 g/mol
Synonyms	2-Deuteroallyl Bromide; (2-²H)Allyl Bromide; 3-Bromo-1-propene-2-d1; Allyl-d1 Bromide; 1-Bromo-2-deuteroprop-2-ene; 3-Bromoprop-1-ene-2-d; Deuterated Allyl Bromide; Prop-2-en-2-d1-1-yl Bromide
EINECS	Contact for details

Quality Control

Our Allyl-2-D1 Bromide is produced under stringent quality management protocols. Each batch is characterized by advanced analytical techniques including NMR (¹H, ²H, ¹³C), GC-MS, and IR spectroscopy to confirm chemical identity, isotopic purity (D-enrichment), and chemical purity. Certificates of Analysis (COA) detailing batch-specific results for assay, isotopic enrichment, and impurity profiles are provided and available upon request to ensure full traceability and compliance with your research or production standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place, away from heat sources and incompatible materials such as strong bases and oxidizing agents. Due to its highly volatile nature, ensure containers are kept tightly sealed and upright. Recommended storage temperature is 2-8°C for extended stability.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 97.0%
Isotopic Purity (²H NMR)	≥ 98.0 atom % D
Water Content (KF)	≤ 0.5%

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