4,4′-DDT-d8

Product Name 4,4′-DDT-d8
CAT No. CS-C-01200
CAS No. 93952-18-2
Category Stable Isotopes
Stock Enquire
Mol. Wt. 362.54 g/mol
Mol. For. C14HD8Cl5
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys ClC1=C([2H])C([2H])=C(C(C2=C([2H])C([2H])=C(Cl)C([2H])=C2[2H])C(Cl)(Cl)Cl)C([2H])=C1[2H]
Canonical Smiles C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl
InchIKey YVGGHNCTFXOJCH-PGRXLJNUSA-N
Inchl InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H/i1D,2D,3D,4D,5D,6D,7D,8D
IUPAC 1-chloro-2,3,5,6-tetradeuterio-4-[2,2,2-trichloro-1-(4-chloro-2,3,5,6-tetradeuteriophenyl)ethyl]benzene
Controlled No
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4,4′-DDT-d8 is a deuterated form of the pesticide 4,4′-DDT (dichlorodiphenyltrichloroethane), which was widely used in the mid-20th century for agricultural and public health purposes. Deuterium is a stable isotope of hydrogen that replaces one or more hydrogen atoms in a molecule, providing a useful tool for chemical analysis. 4,4′-DDT-d8 is mainly used as an analytical standard for the detection and quantification of 4,4′-DDT and its metabolites in environmental and biological samples. It can be used in gas chromatography-mass spectrometry (GC-MS) and other analytical techniques to improve the accuracy and sensitivity of the measurements. The deuterated form of 4,4′-DDT has similar chemical and physical properties to the non-deuterated version, but it can be distinguished from other compounds based on its mass spectral signature. The chemical formula of 4,4′-DDT-d8 is C14D8Cl6H2, and its molecular weight is 380.8 g/mol. It is a colorless to pale yellow crystalline solid that is insoluble in water but soluble in organic solvents such as benzene, hexane, and chloroform. The deuterium atoms in 4,4′-DDT-d8 are located at specific positions in the molecule, which can be confirmed by NMR spectroscopy. 4,4′-DDT and its derivatives have been banned or restricted in many countries due to their persistence, bioaccumulation, and toxic effects on wildlife and humans. However, they continue to be detected in the environment and food chain, highlighting the importance of accurate and reliable methods for their analysis.

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