Cas no 25319-54-4 (o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6)

o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6 is a deuterated form of o-xylene, where six hydrogen atoms are replaced by deuterium. This isotopically labeled compound is primarily used as an internal standard in NMR spectroscopy and mass spectrometry, ensuring precise quantification and structural analysis. Its high isotopic purity (>98%) minimizes interference in analytical applications, while its stability under standard conditions makes it reliable for long-term use. The compound is particularly valuable in research involving organic synthesis, reaction mechanisms, and metabolic studies, where accurate tracking of molecular behavior is critical. Its compatibility with common solvents further enhances its utility in laboratory settings.
o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6 structure
25319-54-4 structure
Product Name:o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6
CAS No:25319-54-4
MF:C8H10
MW:112.201972484589
CID:241677
PubChem ID:16213276
Update Time:2025-05-19

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
  • Hazardous Material Identification: T
  • 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

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.

Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent