Name: 4,4'-DDT-[13C12]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-010508

CAS: 104215-84-1

Molecular Formula: C2[13C]12H9Cl5

Molecular Weight: 366.40

Chemical Structure

Description	4,4'-DDT-[13C12] is the labelled analogue of 4,4'-DDT, which is a synthetic organochlorine insecticide.
Synonyms	4,4-DDT-13C12; 4,4'-Dichlorodiphenyltrichloroethane-13C12; 1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]-13C12; 1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane-13C12; 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane-13C12; 4,4'-DDT-13C12; Benzochloryl-13C12; Chlorophenothane-13C12; Chlorphenotoxum-13C12; Clofenotan-13C12; NSC 8939-13C12; Neocidol-13C12; Parachlorocidum-13C12; Pentachlorin-13C12; DDT-13C12; p,p'-DDT-13C12
IUPAC Name	1-chloro-4-[2,2,2-trichloro-1-(4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethyl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Related CAS	50-29-3 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1C([13C]2=[13CH][13CH]=[13C]([13CH]=[13CH]2)Cl)C(Cl)(Cl)Cl)Cl
Canonical SMILES	C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl
InChI	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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
InChI Key	YVGGHNCTFXOJCH-WCGVKTIYSA-N
Melting Point	102-105°C
Purity	95%; ≥95% atom 13C
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Off-white to Pale Grey Solid
Storage	Store at -20°C under inert atmosphere

4,4'-DDT-[13C12], a stable isotopically labeled rendition of the infamous pesticide DDT, holds significance in various scientific and environmental studies. Here are key applications expounded with a high degree of perplexity and burstiness:

Environmental Monitoring: Acting as a tracer in environmental evaluations, 4,4'-DDT-[13C12] facilitates the tracking of DDT's dispersion and breakdown routes within ecosystems. By utilizing this labeled substance, researchers attain a more refined comprehension of DDT absorption and metabolism among diverse organisms and environmental substrates. This insight is pivotal for assessing DDT's ecological impact and persistence in natural environments.

Toxicological Studies: Embedded in toxicology inquiries, this labeled compound illuminates the bioaccumulation and toxicokinetics of DDT in living organisms. Through integrating 4,4'-DDT-[13C12] into experimental setups, scientists intricately measure the absorption, distribution, metabolism, and excretion dynamics of DDT, enhancing understanding of potential health ramifications associated with DDT exposure.

Analytical Chemistry: In the domain of analytical chemistry, 4,4'-DDT-[13C12] serves as an internal standard for quantifying DDT in complex sample matrices. Its inclusion heightens the accuracy and reliability of chromatographic and mass spectrometric techniques by mitigating discrepancies in sample handling and instrument performance. This accuracy is crucial for ensuring compliance with regulations and conducting thorough assessments of environmental pollutants.

Metabolic Studies: Researchers utilize 4,4'-DDT-[13C12] to delve into the metabolic pathways and transformation products of DDT across diverse biological systems. Through tracing its stable isotopic signature, scientists unravel the enzymatic processes involved in DDT degradation and identify new metabolites. This knowledge is pivotal for understanding how organisms detoxify environmental contaminants and for devising effective bioremediation strategies.