Cas no 116599-62-3 (o-Xylene-α,α'-13C2)

Technical Introduction: o-Xylene-α,α'-13C2 o-Xylene-α,α'-13C2 is a stable isotope-labeled analog of o-xylene, where the α and α' carbon positions are enriched with 13C. This compound is primarily used as an internal standard or tracer in analytical chemistry, particularly in GC-MS and NMR applications, due to its high isotopic purity and well-defined molecular structure. Its labeled carbons enable precise tracking in metabolic studies, environmental analysis, and reaction mechanisms, minimizing interference from natural abundance isotopes. The compound’s stability and compatibility with organic solvents make it suitable for complex sample matrices. Consistent batch-to-batch reproducibility ensures reliable performance in quantitative and qualitative research.
o-Xylene-α,α'-13C2 structure
o-Xylene-α,α'-13C2 structure
Product Name:o-Xylene-α,α'-13C2
CAS No:116599-62-3
MF:C8H10
MW:108.150311946869
CID:131312
Update Time:2025-05-26

o-Xylene-α,α'-13C2 Chemical and Physical Properties

Names and Identifiers

    • o-Xylene-a,a'-13C2 (6CI)
    • 1,2-di(methyl)benzene
    • O-XYLENE-ALPHA,ALPHA'-13C2
    • 1,2-dimethyl-13c2-benzene
    • o-xylene-13c2(dimethyl-13c2)
    • o-Xylene-(dimethyl-13C2)
    • 1,2-Dimethyl-13C2-benzene, o-Xylene-α,αμ-13C2
    • O-XYLENE-ALPHA,ALPHA'-13C2, 99 ATOM % 13 C
    • o-Xylene-α,α'-13C2
    • Inchi: 1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/i1+1,2+1
    • InChI Key: CTQNGGLPUBDAKN-ZDOIIHCHSA-N
    • SMILES: C1([13CH3])C=CC=CC=1[13CH3]

Computed Properties

  • Isotope Atom Count: 2
  • 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

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.886?g/mL?at 25?°C
  • Melting Point: -25--23?°C(lit.)
  • Boiling Point: 143-145?°C(lit.)
  • Flash Point: 90?°F
  • Refractive Index: n20/D 1.505(lit.)
  • Solubility: Not determined

o-Xylene-α,α'-13C2 Security Information

o-Xylene-α,α'-13C2 Pricemore >>

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XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
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Additional information on o-Xylene-α,α'-13C2

o-Xylene-α,α'-13C2: A Comprehensive Overview

o-Xylene-α,α'-13C2 (CAS No. 116599-62-3) is a highly specialized compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound is a derivative of o-xylene, a benzene ring with two methyl groups in the ortho positions, and is characterized by the presence of two 13C isotopes at the α positions of the methyl groups. This unique isotopic labeling makes it an invaluable tool in various scientific applications, particularly in nuclear magnetic resonance (NMR) spectroscopy and related analytical techniques.

The synthesis of o-Xylene-α,α'-13C2 involves advanced chemical methodologies that ensure precise isotopic incorporation. Recent advancements in carbonylative coupling reactions and selective methylation techniques have significantly improved the yield and purity of this compound. Researchers have also explored the use of transition metal catalysts to facilitate the controlled addition of 13C isotopes, ensuring high specificity and minimal by-products.

In terms of physical properties, o-Xylene-α,α'-13C2 exhibits a melting point of approximately 8°C and a boiling point around 144°C under standard conditions. Its solubility in common organic solvents such as dichloromethane and diethyl ether makes it suitable for a wide range of experimental setups. The compound's stability under normal storage conditions is excellent, provided it is kept away from strong oxidizing agents and extreme temperatures.

The application of o-Xylene-α,α'-13C2 in NMR spectroscopy is one of its most notable uses. The presence of 13C isotopes allows for precise chemical shift assignments and enhances the resolution of complex spectra. Recent studies have demonstrated its utility in determining the stereochemistry of chiral compounds and in studying dynamic processes such as molecular tumbling and conformational changes.

Beyond NMR spectroscopy, o-Xylene-α,α'-13C2 has found applications in materials science, particularly in the development of advanced polymers and composite materials. Its ability to act as a versatile building block enables the creation of tailored materials with specific mechanical and thermal properties. For instance, researchers have utilized this compound to synthesize high-performance polyurethanes with enhanced durability and flexibility.

Recent research has also explored the use of o-Xylene-α,α'-13C2 in drug delivery systems. By incorporating this compound into biocompatible polymers, scientists have developed nanoparticles that exhibit improved drug encapsulation efficiency and controlled release profiles. These findings hold promising implications for the future of targeted drug delivery in medical applications.

In conclusion, o-Xylene-α,α'-13C2 (CAS No. 116599-62-3) is a versatile compound with a wide range of applications across multiple disciplines. Its unique isotopic labeling makes it an indispensable tool in modern analytical chemistry, while its structural versatility opens up new avenues for material innovation. As research continues to uncover its potential, o-Xylene-α,α'-13C2 is poised to play an even more significant role in advancing scientific knowledge and technological development.

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