Cas no 350818-61-0 (1,2,4-Trimethylbenzene-d12)
1,2,4-Trimethylbenzene-d12 Chemical and Physical Properties
Names and Identifiers
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- Benzene-1,2,4-d3,3,5,6-tri(methyl-d3)- (9CI)
- 1,2,4-TRIMETHYLBENZENE-D12
- D99218
- 350818-61-0
- 1,2,4-trideuterio-3,5,6-tris(trideuteriomethyl)benzene
- 1,2,4-Trimethylbenzene-d12
-
- Inchi: 1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3/i1D3,2D3,3D3,4D,5D,6D
- InChI Key: GWHJZXXIDMPWGX-ZPMNDIOMSA-N
- SMILES: C1(C([2H])([2H])[2H])C([2H])=C(C([2H])([2H])[2H])C([2H])=C([2H])C=1C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 132.169
- Monoisotopic Mass: 132.169
- Isotope Atom Count: 12
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 86
- 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
- Topological Polar Surface Area: 0A^2
- XLogP3: 3
1,2,4-Trimethylbenzene-d12 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T796177-10mg |
1,2,4-Trimethylbenzene-d12 |
350818-61-0 | 10mg |
$ 58.00 | 2023-09-05 | ||
| TRC | T796177-50mg |
1,2,4-Trimethylbenzene-d12 |
350818-61-0 | 50mg |
$ 69.00 | 2023-09-05 | ||
| TRC | T796177-100mg |
1,2,4-Trimethylbenzene-d12 |
350818-61-0 | 100mg |
$ 86.00 | 2023-09-05 | ||
| A2B Chem LLC | AF66715-1g |
1,2,4-TRIMETHYLBENZENE-D12 |
350818-61-0 | 1g |
$309.00 | 2024-04-20 |
1,2,4-Trimethylbenzene-d12 Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
Additional information on 1,2,4-Trimethylbenzene-d12
Comprehensive Analysis of 1,2,4-Trimethylbenzene-d12 (CAS No. 350818-61-0): Properties, Applications, and Industry Trends
1,2,4-Trimethylbenzene-d12, a deuterated analog of 1,2,4-trimethylbenzene, is a high-purity isotopic compound widely utilized in nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and pharmaceutical research. With its CAS registry number 350818-61-0, this stable isotope-labeled compound has gained significant attention in analytical chemistry due to its unique molecular structure and deuterium substitution pattern. The growing demand for deuterated solvents and isotopic labeling reagents in life sciences underscores its importance in modern research methodologies.
The compound's chemical formula C6D12 (fully deuterated trimethylbenzene) exhibits exceptional spectral properties, making it indispensable for NMR solvent applications and internal standards in quantitative analysis. Recent advancements in metabolomics studies and drug development have further amplified its relevance, particularly in tracking molecular interactions and metabolic pathways. Researchers frequently search for "deuterated aromatic compounds" or "isotope-labeled benzene derivatives" to identify high-quality references like 1,2,4-Trimethylbenzene-d12.
From a synthetic perspective, CAS 350818-61-0 is produced through sophisticated catalytic deuteration processes that ensure >99% isotopic purity. This level of enrichment is critical for minimizing signal interference in high-resolution NMR applications. The compound's physical properties—including boiling point (204-205°C) and density (0.89 g/mL)—are frequently compared with its non-deuterated counterpart in scientific literature, addressing common queries about "deuterium isotope effects" in analytical workflows.
Environmental scientists have recently explored 1,2,4-Trimethylbenzene-d12 as a tracer compound in atmospheric chemistry studies, leveraging its stability to monitor VOC degradation pathways. This application aligns with increasing Google searches for "sustainable analytical chemistry" and "green solvent alternatives." The compound's non-reactive nature and precise detectability make it ideal for such eco-conscious research initiatives.
Quality control protocols for CAS 350818-61-0 involve rigorous GC-MS validation and NMR purity testing, topics frequently discussed in chromatography forums. Manufacturers emphasize batch-to-batch consistency to meet the stringent requirements of pharmaceutical reference standards and material science research. These quality parameters directly respond to prevalent search terms like "high-purity deuterated compounds" and "stable isotope suppliers."
Emerging applications in battery electrolyte research and organic electronics have expanded the compound's utility beyond traditional spectroscopy. Its thermal stability and deuterium kinetic isotope effects are being investigated for energy storage materials—a hot topic in scientific communities searching for "advanced battery components." This interdisciplinary potential positions 1,2,4-Trimethylbenzene-d12 as a versatile tool in next-generation technology development.
Storage and handling recommendations for 350818-61-0 typically emphasize protection from moisture and light exposure, with technical datasheets often downloaded for queries about "deuterated compound stability." The compound's shelf life under inert atmospheres is a frequent subject in chemical storage discussions, particularly among laboratory managers optimizing reagent management systems.
From a market perspective, the global demand for isotopically labeled chemicals like 1,2,4-Trimethylbenzene-d12 is projected to grow at 6.8% CAGR (2023-2030), driven by pharmaceutical R&D investments. This statistic addresses frequent searches for "deuterated compound market trends" while highlighting the compound's commercial significance in the specialty chemicals sector.
Innovative uses in forensic chemistry and environmental fingerprinting have recently been documented, where the compound serves as a molecular tag for complex sample analysis. These cutting-edge applications respond to growing interest in "advanced analytical techniques" and "trace detection methods" across scientific search engines.
In summary, 1,2,4-Trimethylbenzene-d12 (CAS 350818-61-0) represents a critical tool for researchers requiring precise molecular tracking capabilities. Its evolving applications across energy, environmental science, and advanced materials ensure ongoing relevance in scientific discourse—addressing both current search trends and future technological needs in isotopic chemistry.
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