Ethane-1,1,1-d3, 2-bromo-


Chemical Name: Ethane-1,1,1-d3, 2-bromo-
CAS Number: 7439-86-3
Product Number: AG01CCB2(AGN-PC-0U56QK)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
111.984g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
0
Exact Mass:
110.976g/mol
Monoisotopic Mass:
110.976g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
3
Formal Charge:
0
Complexity:
2.8
Isotope Atom Count:
3
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Bromoethane-d3, also known as ethyl bromide-d3, is a deuterated derivative of bromoethane. This isotopically labeled compound plays a crucial role in chemical synthesis, particularly in organic chemistry research and pharmaceutical development. One of the key applications of Bromoethane-d3 in chemical synthesis is in the field of mechanistic studies and reaction pathway elucidation. By replacing the hydrogen atoms with deuterium in the ethyl bromide molecule, researchers can track the movement of deuterium atoms during chemical reactions, providing valuable insights into reaction mechanisms and intermediate species. This isotopic labeling technique helps to unravel complex reaction pathways and determine the stereochemistry of products, which are essential in designing efficient and selective synthetic routes.Furthermore, Bromoethane-d3 is widely used as a tracer in reaction kinetics studies. Its unique isotopic composition allows researchers to monitor the rate of reaction, identify reaction intermediates, and investigate the impact of reaction conditions on the overall reaction pathway. This information is vital for optimizing reaction conditions, improving reaction selectivity, and developing new synthetic methodologies.In addition to its role in mechanistic studies and reaction kinetics, Bromoethane-d3 is also employed in the synthesis of labeled compounds for various applications, including drug discovery, environmental monitoring, and biochemical research. The isotopic labeling provided by Bromoethane-d3 offers a powerful tool for tracking molecular transformations and elucidating complex chemical processes, making it an indispensable reagent in modern chemical synthesis.