Cas no 25319-54-4 (o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6)
o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6 Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2-di(methyl-d3)-
- 1,2-bis-trideuteriomethyl-benzene
- 1,2-Dimethyl-d6-benzene
- 485144_ALDRICH
- I01-16885
- o-Xylene-(dimethyl-d6)
- o-Xylene-d6 (dimethyl-d6)
- AKOS015889214
- 1,2-bis(trideuteriomethyl)benzene
- o-Xylene-(dimethyl-d6), 98 atom % D
- 1, 2-bis(trideuteriomethyl)benzene
- D99302
- 25319-54-4
- DTXSID90583837
- 1,2-Bis[(~2~H_3_)methyl]benzene
- O-XYLENE-ALPHA,ALPHA,ALPHA,ALPHA',ALPHA',ALPHA'-D6
- o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6
-
- Inchi: 1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/i1D3,2D3
- InChI Key: CTQNGGLPUBDAKN-WFGJKAKNSA-N
- SMILES: C1(C([2H])([2H])[2H])C=CC=CC=1C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 112.115910795g/mol
- Monoisotopic Mass: 112.115910795g/mol
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 56.4
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 0?2
Experimental Properties
- Color/Form: liquid
- Density: 0.953?g/mL?at 25?°C
- Melting Point: -25--23?°C(lit.)
- Boiling Point: 143-145?°C(lit.)
- Flash Point: 90?°F
- Refractive Index: 1.5
o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6 Security Information
- Hazardous Material transportation number:UN 1307 3/PG 3
- WGK Germany:3
- Hazard Category Code: 60-10-20/21/22-36/37/38
- Safety Instruction: 53-16-26-36-45
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Hazardous Material Identification:
- Risk Phrases:60-10-20/21/22-36/37/38
o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | X749406-10mg |
o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6 |
25319-54-4 | 10mg |
$ 64.00 | 2023-09-05 | ||
| TRC | X749406-50mg |
o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6 |
25319-54-4 | 50mg |
$ 86.00 | 2023-09-05 | ||
| TRC | X749406-100mg |
o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6 |
25319-54-4 | 100mg |
$ 109.00 | 2023-09-05 |
o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6 Related Literature
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
Additional information on o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6
O-Xylene-Alpha,Alpha,Alpha,Alpha',Alpha',Alpha'-D6: A Comprehensive Overview
O-Xylene-Alpha,Alpha,Alpha,Alpha',Alpha',Alpha'-D6 (CAS No. 25319-54-4) is a highly specialized compound that has garnered significant attention in various scientific and industrial applications. This compound is a deuterated derivative of o-xylene, where six hydrogen atoms have been replaced with deuterium atoms. The o-xylene backbone is a derivative of benzene, featuring two methyl groups attached to adjacent carbon atoms on the aromatic ring. The deuterated nature of this compound introduces unique properties that make it invaluable in fields such as nuclear magnetic resonance (NMR) spectroscopy, material science, and quantum chemistry research.
Recent advancements in isotopic labeling techniques have further enhanced the utility of O-Xylene-Alpha,Alpha,Alpha,Alpha',Alpha',Alpha'-D6 in analytical chemistry. Deuterium substitution significantly alters the chemical environment of neighboring atoms, which can be exploited to study reaction mechanisms and molecular interactions with unprecedented precision. For instance, researchers have utilized this compound to investigate the stereochemical outcomes of various organic reactions under controlled conditions. The ability to track specific hydrogen/deuterium exchange processes has provided deeper insights into enzyme kinetics and drug design.
In the realm of materials science, O-Xylene-D6 has been employed as a model system to study the effects of isotopic substitution on physical properties such as melting points and thermal stability. Experimental studies have demonstrated that the replacement of hydrogen with deuterium can lead to measurable changes in these properties due to differences in bond strength and vibrational frequencies. These findings have implications for the development of advanced materials with tailored physical characteristics.
The application of O-Xylene-D6 in quantum chemistry has also been a topic of recent research interest. Computational studies using high-level ab initio methods have revealed subtle differences in electronic structure between hydrogenated and deuterated derivatives. These studies are crucial for validating theoretical models and improving computational algorithms used in predicting molecular behavior.
Moreover, O-Xylene-D6 has found niche applications in the field of neutron scattering. The high neutron cross-section of deuterium makes it an ideal tracer for studying molecular dynamics in complex systems. Recent experiments have utilized this property to probe the behavior of polymers and liquid crystals under extreme conditions.
In conclusion, O-Xylene-Alpha,Alpha,Alpha,Alpha',Alpha',Alpha'-D6 (CAS No. 25319-54-4) stands as a testament to the versatility of isotopic compounds in modern scientific research. Its unique properties continue to drive innovation across multiple disciplines, underscoring its importance as a valuable tool for advancing our understanding of chemical systems.
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