CAS 202480-71-5 1-Bromoeicosane-[d41] - Isotope / BOC Sciences

General Information
Catalog: BLP-008265
CAS: 202480-71-5
Molecular Formula: C20D41Br
Molecular Weight: 402.70

General Information

Catalog: BLP-008265

CAS: 202480-71-5

Molecular Formula: C20D41Br

Molecular Weight: 402.70

Chemical Structure

Synonyms	1-Bromoeicosane-d41; Eicosyl bromide-d41; Bromoicosane-d41; eicosylbromide-d41; 1-bromanylicosane-d41; 1-eicosyl bromide-d41; n-eicosylbromide-d41
IUPAC Name	1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-hentetracontadeuterioicosane
Related CAS	4276-49-7 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCBr
InChI	InChI=1S/C20H41Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2
InChI Key	CZASMUMJSKOHFJ-PSVBKMRNSA-N
Purity	98%; ≥97% atom D
Solubility	Soluble in Chloroform; Slightly soluble in Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C

1-Bromoeicosane-[d41], a deuterated compound, finds primary use in analytical and synthetic realms. Here are key applications delivered with a high degree of perplexity and burstiness:

Stable Isotope Labeling: Embracing stable isotope labeling, 1-Bromoeicosane-[d41] assumes the role of a tracer in mass spectrometry investigations. By integrating this deuterated compound into molecules, researchers can trace metabolic pathways and molecular transitions. This application is pivotal in unraveling the enigmatic workings of intricate biological systems and executing quantitative analyses.

NMR Spectroscopy: Within the realm of NMR spectroscopy, 1-Bromoeicosane-[d41] stands out due to its distinctive deuterium labeling, imparting unique spectral imprints. This feature aids in the structural elucidation of organic compounds and the study of molecular interactions. By diminishing background noise, the compound elevates the accuracy and clarity of NMR data, illuminating molecular structures with unparalleled detail.

Organic Synthesis: Serving as a cornerstone in organic synthesis, 1-Bromoeicosane-[d41] facilitates the construction of intricate molecules. Through its bromine atom, the compound enables diverse synthetic manipulations, such as nucleophilic substitution reactions. Chemists harness its potential to introduce deuterium labeling into organic frameworks, expediting mechanistic inquiries and fostering the inception of novel compounds.

Environmental Analysis: Engaging in environmental chemistry, 1-Bromoeicosane-[d41] operates as an internal standard for quantifying alkanes across various matrices. Leveraging its deuterium atoms, the compound emits discernible mass spectrometric signals, ensuring precise calibration. This application plays a critical role in monitoring environmental contaminants and evaluating ecological repercussions, safeguarding our natural ecosystems.