Cas no 358730-87-7 (4-tert-Butylphenol-d9 (Major))
4-tert-Butylphenol-d9 (Major) Chemical and Physical Properties
Names and Identifiers
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- Phenol,4-[1,1-di(methyl-d3)ethyl-2,2,2-d3]- (9CI)
- 4-TERT-BUTYL-D9-PHENOL
- Phenol, 4-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-
- 358730-87-7
- 4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol
- DTXSID401258682
- 4-tert-Butylphenol-d9 (Major)
-
- Inchi: 1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3/i1D3,2D3,3D3
- InChI Key: QHPQWRBYOIRBIT-GQALSZNTSA-N
- SMILES: OC1C=CC(=CC=1)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 159.161
- Monoisotopic Mass: 159.161
- Isotope Atom Count: 9
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 115
- 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: 3.3
- Topological Polar Surface Area: 20.2A^2
4-tert-Butylphenol-d9 (Major) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B694104-10mg |
4-tert-Butylphenol-d9 (Major) |
358730-87-7 | 10mg |
$ 265.00 | 2023-09-08 | ||
| TRC | B694104-50mg |
4-tert-Butylphenol-d9 (Major) |
358730-87-7 | 50mg |
$ 1154.00 | 2023-09-08 | ||
| TRC | B694104-100mg |
4-tert-Butylphenol-d9 (Major) |
358730-87-7 | 100mg |
$ 2142.00 | 2023-09-08 |
4-tert-Butylphenol-d9 (Major) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Additional information on 4-tert-Butylphenol-d9 (Major)
Introduction to 4-tert-Butylphenol-d9 (Major) and Its Significance in Modern Chemical Research
4-tert-Butylphenol-d9 (Major), identified by the CAS number 358730-87-7, is a deuterated derivative of 4-tert-butylphenol, a compound widely recognized for its utility in various scientific and industrial applications. This introduction delves into the compound's chemical properties, its role in contemporary research, and its relevance in the development of innovative solutions across multiple disciplines.
The molecular structure of 4-tert-Butylphenol-d9 (Major) features a phenolic ring substituted with a tert-butyl group and deuterium atoms, which confer unique isotopic properties. These characteristics make it an invaluable tool in analytical chemistry, particularly in nuclear magnetic resonance (NMR) spectroscopy. The deuterated version enhances resolution and sensitivity, enabling researchers to study complex molecular interactions with greater precision.
In recent years, 4-tert-Butylphenol-d9 (Major) has garnered significant attention in the field of pharmaceutical research. Its isotopic modification allows for the development of labeled compounds that can be used as probes in drug discovery and metabolic studies. The ability to track metabolic pathways non-invasively has revolutionized how researchers understand drug efficacy and toxicity. This has been particularly instrumental in the study of enzyme mechanisms and the identification of potential drug candidates.
The compound's stability under various chemical conditions makes it a preferred choice for synthetic chemistry applications. Researchers have leveraged 4-tert-Butylphenol-d9 (Major) to synthesize novel derivatives that exhibit enhanced stability and reactivity. These derivatives have found applications in polymer science, where they serve as additives to improve material properties such as thermal resistance and mechanical strength.
Moreover, 4-tert-Butylphenol-d9 (Major) has been utilized in environmental science to study the degradation of pollutants. Its isotopic signature allows scientists to monitor environmental processes over time, providing critical insights into the fate of organic compounds in ecosystems. This has been particularly useful in assessing the impact of industrial activities on natural environments and developing strategies for pollution control.
Advances in mass spectrometry have further expanded the utility of 4-tert-Butylphenol-d9 (Major). The compound's isotopic form enhances the sensitivity and specificity of mass spectrometric analyses, enabling the detection of trace amounts of substances in complex mixtures. This has significant implications for forensic science, where its application aids in the identification of unknown compounds and the reconstruction of criminal events.
The role of 4-tert-Butylphenol-d9 (Major) in materials science is also noteworthy. Its incorporation into various polymers and resins improves their performance by enhancing thermal stability and resistance to degradation. These properties are crucial for applications in high-performance materials used in aerospace, automotive, and electronics industries. The compound's ability to withstand extreme conditions makes it an ideal candidate for advanced material formulations.
In conclusion, 4-tert-Butylphenol-d9 (Major) is a versatile compound with broad applications across multiple scientific disciplines. Its unique isotopic properties make it an indispensable tool in pharmaceutical research, environmental monitoring, polymer science, and analytical chemistry. As research continues to evolve, the utility of this compound is expected to expand further, driving innovation and discovery in countless fields.
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