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Hexachloro-1,3-butadiene-[13C4]

General Information
Catalog: BLP-011881
CAS: 93951-70-3
Molecular Formula: [13C]4Cl6
Molecular Weight: 264.8
Chemical Structure
Hexachloro-1,3-butadiene-[13C4]
Synonyms Hexachloro-1,3-butadiene-13C4
IUPAC Name 1,1,2,3,4,4-hexachloro(1,2,3,4-13C4)buta-1,3-diene
Related CAS 87-68-3 (unlabelled)
Isomeric SMILES [13C](=[13C](Cl)Cl)([13C](=[13C](Cl)Cl)Cl)Cl
Canonical SMILES C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl
InChI InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10/i1+1,2+1,3+1,4+1
InChI Key RWNKSTSCBHKHTB-JCDJMFQYSA-N
Purity 99% atom 13C
Density 1.7±0.1 g/cm3
Storage Store at -20°C

Hexachloro-1,3-butadiene-[13C4] is a labeled chemical compound commonly used in analytical and environmental research due to its isotopic composition. Here are some key applications of Hexachloro-1,3-butadiene-[13C4]:

Environmental Tracing: Hexachloro-1,3-butadiene-[13C4] is employed as a tracer compound in studying the dynamics and fate of pollutants in the environment. By tracking its movement and transformation, researchers can gain insights into the behavior of similar chlorinated compounds in soil and water systems. This information is crucial for developing effective remediation strategies for contaminated sites.

Analytical Chemistry: In analytical studies, Hexachloro-1,3-butadiene-[13C4] serves as an internal standard for quantifying trace levels of hexachloro-1,3-butadiene in environmental samples. Its stable isotopic label aids in improving the accuracy and precision of measurements through techniques like gas chromatography-mass spectrometry (GC-MS). This enhances the reliability of monitoring pollutant levels in various matrices.

Toxicological Research: Hexachloro-1,3-butadiene-[13C4] is used in toxicological studies to understand the metabolism and toxicity of halogenated hydrocarbons. By using a labeled version, researchers can track its distribution and biotransformation in biological systems, providing invaluable insights into its potential health effects. Such studies are essential for risk assessment and the development of safety regulations.

Chemical Synthesis: In synthetic chemistry, Hexachloro-1,3-butadiene-[13C4] can be utilized as a building block in the preparation of labeled derivatives for research purposes. Its isotopic label allows for the tracing of carbon atoms through complex chemical transformations. This application is instrumental in studying reaction mechanisms and optimizing synthetic processes in organic chemistry.

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