Description

1-(2-Bromo-1,1,2,2-Tetradeuterioethyl)-4-Fluorobenzene is a deuterated organic building block of significant value in advanced chemical synthesis. This compound matters for its role in creating isotopically labeled molecules, which are essential for precise analytical and mechanistic studies. It is primarily needed by research and development teams in the pharmaceutical, agrochemical, and material science industries for applications in drug discovery, metabolic research, and the development of novel specialty chemicals.

Application

• Pharmaceutical Research & Development: A key intermediate in the synthesis of deuterated drug candidates for pharmacokinetic (PK) and pharmacodynamic (PD) studies, enhancing metabolic stability and enabling tracer analysis.
• Analytical Chemistry & Mass Spectrometry: Serves as an internal standard or a precursor for labeled standards in LC-MS and GC-MS, improving quantification accuracy and method validation.
• Agrochemical Development: Used in creating isotopically labeled pesticides or herbicides to study environmental fate, degradation pathways, and residue analysis.
• Material Science: Employed in the synthesis of deuterated polymers or liquid crystals for neutron scattering studies and to modify physical properties like thermal stability.
• Mechanistic Studies: Facilitates the investigation of reaction mechanisms and catalytic processes through kinetic isotope effect (KIE) studies in organic chemistry.
• Contract Research & Manufacturing (CRO/CMO): Supplied to service organizations specializing in custom synthesis and the production of high-value, non-GMP intermediates for client projects.

Basic Information

Product Name	1-(2-Bromo-1,1,2,2-Tetradeuterioethyl)-4-Fluorobenzene
CAS No.	1189661-61-7
Molecular Formula	C8H5D4BrF
Molecular Weight	205.06 g/mol (for C8H5D4BrF)
Synonyms	4-Fluoro-1-(2-bromo-1,1,2,2-tetradeuterioethyl)benzene; 1-(2-Bromoethyl-1,1,2,2-d4)-4-fluorobenzene; 2-Bromo-1-(4-fluorophenyl)ethane-1,1,2,2-d4; 4-Fluorophenethyl-d4 bromide; (4-Fluorophenyl)-1,1,2,2-d4-ethyl bromide; Deutero-labeled 1-(2-Bromoethyl)-4-fluorobenzene; p-Fluorophenethyl-d4 bromide
EINECS	Contact for details

Quality Control

Our deuterated compounds undergo rigorous quality testing to ensure high isotopic purity and chemical integrity. Each batch is characterized by advanced analytical techniques including NMR (1H, 13C, 19F), mass spectrometry, and HPLC to confirm deuterium incorporation and chemical purity. Certificates of Analysis (COA) detailing isotopic enrichment (D-atom %), chemical purity, and identity are provided and available upon request, supporting compliance with 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). Due to the presence of a reactive bromide moiety and sensitivity to strong bases, keep away from incompatible materials such as fluorides and strong alkalis.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95% (Area %)
Isotopic Purity (MS)	≥ 98 atom % D (d4)
Water Content (KF)	≤ 0.5%

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