Cas no 16034-43-8 (p-Xylene-d4 (ring-d4))
p-Xylene-d4 (ring-d4) Chemical and Physical Properties
Names and Identifiers
-
- Benzene-1,2,4,5-d4,3,6-dimethyl-
- < 2,3,5,6-2H4> p-xylene
- 1,2,4,5-tetradeuterio-3,6-dimethyl-benzene
- 1,4-Dimethylbenzene-2,3,5,6-d4
- 2,3,5,6-Tetradeutero-p-xylol
- 22,3,5,6-Tetradeutero-p-xylol
- 486329_ALDRICH
- I14-39815
- p-Xylene-(phenyl-d4)
- p-xylene-2,3,5,6-d4
- p-xylene-d4
- p-Xylene-d4 (phenyl-d4)
- 16034-43-8
- D99079
- p-Xylene-d4 (ring-d4)
- p-Xylene-(phenyl-d4), 98 atom % D
- AKOS015910406
- DTXSID10583834
- 1,4-Dimethyl(~2~H_4_)benzene
- dimethyl(?H?)benzene
- 1,2,4,5-tetradeuterio-3,6-dimethylbenzene
-
- MDL: MFCD00190427
- Inchi: 1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i3D,4D,5D,6D
- InChI Key: URLKBWYHVLBVBO-LNFUJOGGSA-N
- SMILES: C1(C)C([2H])=C([2H])C(C)=C([2H])C=1[2H]
Computed Properties
- Exact Mass: 110.103357303g/mol
- Monoisotopic Mass: 110.103357303g/mol
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 48.4
- 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: 0?2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Color/Form: Not determined
- Density: 0.899?g/mL?at 25?°C
- Melting Point: 12-13?°C(lit.)
- Boiling Point: 138?°C(lit.)
- Flash Point: 77?°F
- Refractive Index: n20/D 1.495(lit.)
- Solubility: Not determined
p-Xylene-d4 (ring-d4) Security Information
- Hazardous Material transportation number:UN 1307 3/PG 3
- WGK Germany:3
- Hazard Category Code: 10-20/21/22-36/37/38
- Safety Instruction: 16-26-36
-
Hazardous Material Identification:
- Risk Phrases:R10
p-Xylene-d4 (ring-d4) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | X749411-10mg |
p-Xylene-d4 (ring-d4) |
16034-43-8 | 10mg |
$ 64.00 | 2023-09-05 | ||
| TRC | X749411-50mg |
p-Xylene-d4 (ring-d4) |
16034-43-8 | 50mg |
$115.00 | 2023-05-17 | ||
| TRC | X749411-100mg |
p-Xylene-d4 (ring-d4) |
16034-43-8 | 100mg |
$167.00 | 2023-05-17 | ||
| A2B Chem LLC | AE80823-500mg |
P-XYLENE-2,3,5,6-D4 |
16034-43-8 | 500mg |
$527.00 | 2024-04-20 | ||
| A2B Chem LLC | AE80823-1g |
P-XYLENE-2,3,5,6-D4 |
16034-43-8 | 1g |
$774.00 | 2024-04-20 | ||
| AstaTech | D99079-0.1/G |
P-XYLENE-2,3,5,6-D4 |
16034-43-8 | 95% | 0.1g |
$325 | 2023-09-19 | |
| AstaTech | D99079-0.25/G |
P-XYLENE-2,3,5,6-D4 |
16034-43-8 | 95% | 0.25g |
$450 | 2023-09-19 | |
| AstaTech | D99079-1/G |
P-XYLENE-2,3,5,6-D4 |
16034-43-8 | 95% | 1g |
$730 | 2023-09-19 |
p-Xylene-d4 (ring-d4) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
Additional information on p-Xylene-d4 (ring-d4)
Comprehensive Guide to p-Xylene-d4 (ring-d4) (CAS No. 16034-43-8): Properties, Applications, and Industry Insights
p-Xylene-d4 (ring-d4), with the CAS number 16034-43-8, is a deuterated derivative of para-xylene, widely utilized in analytical chemistry, pharmaceuticals, and materials science. This isotopically labeled compound is gaining traction due to its unique properties, such as enhanced stability and precision in spectroscopic applications. Researchers and industries are increasingly adopting deuterated solvents like p-Xylene-d4 for NMR spectroscopy, where its ring-d4 structure minimizes signal interference, enabling clearer molecular analysis.
The demand for p-Xylene-d4 (ring-d4) has surged alongside advancements in green chemistry and sustainable synthesis. As labs prioritize eco-friendly practices, deuterated compounds offer reduced environmental impact compared to traditional reagents. A common question in AI-driven research platforms is: "How does p-Xylene-d4 improve NMR sensitivity?" The answer lies in its deuterium substitution, which eliminates proton-related noise, making it indispensable for high-resolution NMR studies of complex organic molecules.
In pharmaceuticals, CAS 16034-43-8 plays a critical role in drug metabolite tracking and isotope dilution mass spectrometry (IDMS). Its ability to serve as an internal standard ensures accurate quantification of target analytes, addressing a key challenge in precision medicine. Recent discussions in scientific forums highlight its utility in COVID-19 research, particularly for studying antiviral drug interactions at the molecular level.
From an industrial perspective, p-Xylene-d4 is vital for polymer research, especially in characterizing aromatic hydrocarbons used in high-performance plastics. Its thermal stability and compatibility with GC-MS systems make it a preferred choice for material degradation studies. Searches for "deuterated xylene suppliers" have spiked by 40% in 2023, reflecting growing applications in renewable energy sectors like organic photovoltaics.
Quality control of p-Xylene-d4 (ring-d4) hinges on rigorous deuteration degree verification (typically ≥99.5%). Suppliers now leverage blockchain technology to provide tamper-proof certificates of analysis (CoA), a trend resonating with laboratory transparency demands. Analytical chemists frequently search for "p-Xylene-d4 solubility data", as its miscibility with common organic solvents expands experimental design options.
Emerging applications include battery electrolyte research, where deuterated aromatics help probe lithium-ion transport mechanisms. The compound's chemical shift references in 2D NMR techniques like HSQC and HMBC are also under exploration. With the global NMR market projected to reach $1.2 billion by 2027, CAS 16034-43-8 will remain a cornerstone for structural elucidation workflows.
Storage recommendations for p-Xylene-d4 emphasize argon-purged containers to prevent isotopic exchange, while handling requires standard laboratory safety protocols. Its shelf life extends beyond 5 years when stored at -20°C, making it cost-effective for long-term studies. The compound's vapor pressure and flash point data are frequently queried in safety databases, underscoring the importance of proper ventilation during use.
In conclusion, p-Xylene-d4 (ring-d4) (16034-43-8) represents a versatile tool bridging academic research and industrial innovation. Its synergy with cutting-edge analytical techniques and alignment with sustainability goals ensure its continued relevance across scientific disciplines. Future developments may explore its role in quantum computing materials and bioorthogonal chemistry, further expanding its scientific footprint.
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