Cas no 169397-96-0 (1,6-dibromohexane-d12)
1,6-dibromohexane-d12 Chemical and Physical Properties
Names and Identifiers
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- 1,6-dibromohexane-d12
- CS-0568248
- HY-Y0860S
- 1,6-Dibromo-n-hexane-d12
- DB-311569
- 1,6-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriohexane
- 169397-96-0
- D98718
-
- Inchi: 1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
- InChI Key: SGRHVVLXEBNBDV-LBTWDOQPSA-N
- SMILES: BrC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br
Computed Properties
- Exact Mass: 256.00385g/mol
- Monoisotopic Mass: 254.00590g/mol
- Isotope Atom Count: 12
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 5
- Complexity: 31.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 0?2
1,6-dibromohexane-d12 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D425586-2.5mg |
1,6-Dibromohexane-d12 |
169397-96-0 | 2.5mg |
$ 64.00 | 2023-09-07 | ||
| TRC | D425586-5mg |
1,6-Dibromohexane-d12 |
169397-96-0 | 5mg |
$ 81.00 | 2023-09-07 | ||
| TRC | D425586-25mg |
1,6-Dibromohexane-d12 |
169397-96-0 | 25mg |
$196.00 | 2023-05-18 |
1,6-dibromohexane-d12 Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
Additional information on 1,6-dibromohexane-d12
Introduction to 1,6-dibromohexane-d12 and Its Significance in Modern Chemical Research
1,6-dibromohexane-d12, with the CAS number 169397-96-0, is a specialized deuterated brominated compound that has garnered significant attention in the field of organic synthesis and pharmaceutical research. This compound, featuring a hexane backbone substituted with two deuterium atoms at the 1 and 6 positions and bromine atoms at the 2 and 5 positions, serves as a valuable intermediate in the development of complex molecular structures. Its unique isotopic labeling makes it particularly useful in studies requiring high precision, such as NMR spectroscopy and mechanistic investigations.
The chemical structure of 1,6-dibromohexane-d12 exhibits a high degree of symmetry, which is advantageous for synthetic applications. The presence of bromine atoms at specific positions enhances its reactivity, making it a versatile building block for constructing more intricate molecules. In recent years, this compound has been increasingly utilized in the synthesis of pharmaceuticals, agrochemicals, and advanced materials, where its stability and isotopic purity are critical.
One of the most compelling applications of 1,6-dibromohexane-d12 is in the field of drug discovery. Researchers are leveraging its properties to develop novel therapeutic agents with improved metabolic stability and reduced toxicity. The deuterium labeling can alter the pharmacokinetic profile of molecules, potentially leading to longer half-lives and enhanced bioavailability. For instance, studies have demonstrated its use in creating analogs of existing drugs that exhibit superior efficacy while minimizing side effects.
Moreover, the isotopic purity of 1,6-dibromohexane-d12 makes it an indispensable tool in analytical chemistry. NMR spectroscopy, a cornerstone technique in molecular characterization, benefits immensely from deuterated compounds due to their minimal interference with signal detection. This has enabled researchers to obtain high-resolution spectra of complex mixtures, facilitating detailed structural elucidation and reaction monitoring.
In the realm of material science, 1,6-dibromohexane-d12 has found applications in polymer chemistry. Its incorporation into polymer backbones can lead to materials with tailored properties, such as enhanced thermal stability or improved solubility. These advancements are particularly relevant in the development of next-generation materials for electronics and coatings.
The synthesis of 1,6-dibromohexane-d12 involves precise control over reaction conditions to ensure high yield and purity. Modern synthetic methodologies often employ catalytic processes that minimize byproduct formation. These techniques align with the growing emphasis on green chemistry principles, where efficiency and environmental sustainability are paramount.
Recent research has also highlighted the role of 1,6-dibromohexane-d12 in studying reaction mechanisms. By using deuterium-labeled compounds as tracers, scientists can gain insights into how molecules interact at a molecular level. This information is crucial for optimizing synthetic routes and understanding biological processes at a deeper level.
The pharmaceutical industry has been particularly keen on exploring the potential of 1,6-dibromohexane-d12 for developing new drug candidates. Its incorporation into active pharmaceutical ingredients (APIs) can lead to compounds with distinct pharmacological properties. For example, studies have shown that deuterated analogs can exhibit altered binding affinities to biological targets, potentially enhancing therapeutic outcomes.
Another area where 1,6-dibromohexane-d12 has made significant contributions is in agrochemical research. The development of novel pesticides and herbicides often requires sophisticated molecular architectures. The compound’s versatility allows chemists to design molecules that are both effective and environmentally friendly.
The demand for high-purity 1,6-dibromohexane-d12 continues to grow as research progresses across multiple disciplines. Manufacturers are investing in advanced purification technologies to meet this demand while adhering to stringent quality control standards. This ensures that researchers worldwide have access to reliable materials for their groundbreaking work.
In conclusion,1,6-dibromohexane-d12 (CAS no 169397-96-0) is a multifaceted compound with far-reaching implications in chemical research. Its unique properties make it an invaluable tool for synthetic chemists, pharmaceutical scientists, and material engineers alike. As our understanding of molecular interactions deepens,1-6dibromohexaned12 will undoubtedly play an even more pivotal role in shaping the future of science and technology.
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