Cas no 350818-66-5 (Dimethyl-d6 Tetrachloroterephthalate)

Dimethyl-d6 Tetrachloroterephthalate is a deuterated derivative of dimethyl tetrachloroterephthalate, where six hydrogen atoms are replaced by deuterium. This isotopic labeling enhances the compound's utility in NMR spectroscopy, providing improved signal resolution and reduced background interference in structural and mechanistic studies. Its high chemical purity and isotopic enrichment (>98% D) make it suitable for use as an internal standard or tracer in quantitative analysis and metabolic research. The tetrachloroterephthalate backbone ensures stability under various experimental conditions, while the deuteration minimizes hydrogen-deuterium exchange artifacts. This compound is particularly valuable in pharmaceutical and environmental research for precise isotopic dilution assays.
Dimethyl-d6 Tetrachloroterephthalate structure
350818-66-5 structure
Product Name:Dimethyl-d6 Tetrachloroterephthalate
CAS No:350818-66-5
MF:C10H6Cl4O4
MW:338.00120973587
CID:302843
PubChem ID:102601122
Update Time:2025-11-02

Dimethyl-d6 Tetrachloroterephthalate Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxylicacid, 2,3,5,6-tetrachloro-, di(methyl-d3) ester (9CI)
    • DIMETHYL-D6 TETRACHLOROTEREPHTHALATE
    • Dimethyl-d6 tetrachloro terephthalate100μg
    • CS-0568575
    • HY-B2062S
    • 350818-66-5
    • Chlorthal-dimethyl-d6
    • F90806
    • 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, di(methyl-d3) ester
    • Dimethyl-d6 Tetrachloroeterephthalate
    • Dimethyl-d6 Tetrachloroterephthalate
    • Inchi: 1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3/i1D3,2D3
    • InChI Key: NPOJQCVWMSKXDN-WFGJKAKNSA-N
    • SMILES: ClC1C(=C(C(=O)OC([2H])([2H])[2H])C(=C(C=1C(=O)OC([2H])([2H])[2H])Cl)Cl)Cl

Computed Properties

  • Exact Mass: 337.937
  • Monoisotopic Mass: 335.94
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 290
  • 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
  • XLogP3: 4.4
  • Topological Polar Surface Area: 52.6A^2

Dimethyl-d6 Tetrachloroterephthalate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D104641-0.5mg
Dimethyl-d6 Tetrachloroterephthalate
350818-66-5
0.5mg
$ 55.00 2023-02-02
TRC
D104641-1mg
Dimethyl-d6 Tetrachloroterephthalate
350818-66-5
1mg
$ 88.00 2023-09-08
TRC
D104641-5mg
Dimethyl-d6 Tetrachloroterephthalate
350818-66-5
5mg
$ 178.00 2023-09-08
TRC
D104641-.5mg
Dimethyl-d6 Tetrachloroterephthalate
350818-66-5
5mg
$65.00 2023-05-18

Additional information on Dimethyl-d6 Tetrachloroterephthalate

Dimethyl-d6 Tetrachloroterephthalate (CAS No. 350818-66-5): A Comprehensive Overview

Dimethyl-d6 Tetrachloroterephthalate (CAS No. 350818-66-5) is a deuterated derivative of tetrachloroterephthalate, widely used in analytical chemistry and research applications. This compound is particularly valuable in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy due to its stable isotopic labeling. The deuterium (d6) substitution enhances its utility as an internal standard, minimizing interference in quantitative analyses.

The chemical structure of Dimethyl-d6 Tetrachloroterephthalate features four chlorine atoms and two deuterated methyl groups, making it a unique tool for studying metabolic pathways and environmental degradation. Researchers often employ this compound in isotope dilution mass spectrometry (IDMS), a technique gaining traction due to its high accuracy in quantifying trace-level analytes. With the growing demand for precision in environmental and pharmaceutical testing, CAS 350818-66-5 has become a sought-after reference material.

One of the trending applications of Dimethyl-d6 Tetrachloroterephthalate is in the study of persistent organic pollutants (POPs). As global awareness of environmental contamination rises, scientists are leveraging deuterated compounds to track the fate of chlorinated aromatics in ecosystems. This aligns with the increasing popularity of searches like "deuterated standards for POPs analysis" and "isotopic labeling in environmental chemistry", reflecting the compound's relevance in current research.

From a synthetic perspective, Dimethyl-d6 Tetrachloroterephthalate is typically prepared through deuteration of its protonated analogue using metal-catalyzed exchange reactions. The process requires careful control to ensure high isotopic purity (>98%), a critical factor for its effectiveness as an analytical standard. Recent advancements in deuterium incorporation techniques have improved the accessibility of such compounds, addressing common search queries like "how to synthesize deuterated internal standards".

The pharmaceutical industry has shown growing interest in CAS 350818-66-5 for drug metabolism studies. With the FDA emphasizing the importance of isotope-labeled drug metabolites in regulatory submissions, this compound serves as a model for understanding the behavior of chlorinated drug candidates. This application connects with trending topics such as "deuterated drugs in pharmacokinetics" and "improving drug detection limits with isotopic standards".

Quality control is paramount when working with Dimethyl-d6 Tetrachloroterephthalate, as even minor impurities can compromise analytical results. Reputable suppliers provide comprehensive certificates of analysis (CoA) detailing parameters like isotopic enrichment, chemical purity, and solvent content. These practices respond to frequent search terms like "how to validate deuterated standards" and "specifications for isotopic reference materials".

Storage and handling of Dimethyl-d6 Tetrachloroterephthalate require attention to prevent isotopic exchange. The compound is typically stored under inert atmosphere at low temperatures, with precautions against moisture exposure. These protocols align with laboratory best practices for maintaining stable isotope-labeled compounds, a subject of numerous technical inquiries in analytical chemistry forums.

Looking ahead, the demand for CAS 350818-66-5 is expected to grow in tandem with advancements in high-resolution mass spectrometry. The compound's unique fragmentation pattern makes it particularly useful for method development and instrument calibration. This positions Dimethyl-d6 Tetrachloroterephthalate as a valuable asset in laboratories adopting cutting-edge analytical technologies.

In conclusion, Dimethyl-d6 Tetrachloroterephthalate represents a sophisticated tool in modern analytical chemistry, bridging the gap between fundamental research and applied science. Its versatility in environmental monitoring, pharmaceutical analysis, and method validation ensures its continued relevance in scientific investigations. As analytical techniques become more sensitive and regulatory requirements more stringent, the importance of high-quality deuterated standards like CAS 350818-66-5 will only increase.

Recommended suppliers
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited