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Benzo[k]fluoranthene-[d12]

General Information
Catalog: BLP-011492
CAS: 93952-01-3
Molecular Formula: C20D12
Molecular Weight: 264.38
Chemical Structure
Benzo[k]fluoranthene-[d12]
Synonyms Benzo[K]Fluoranthene-d12; Benzo[k]fluoranthene-1,2,3,4,5,6,7,8,9,10,11,12-d12; 11,12-Benzofluoranthene-d12; 2,3,1',8'-Binaphthylene-d12; 8,9-Benzfluoranthene-d12; Dibenzo[b,jk]fluorene-d12
IUPAC Name 1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[k]fluoranthene
Related CAS 207-08-9 (unlabelled)
Canonical SMILES C1=CC=C2C=C3C4=CC=CC5=C4C(=CC=C5)C3=CC2=C1
InChI InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChI Key HAXBIWFMXWRORI-AQZSQYOVSA-N
Melting Point 215.0-217.0°C
Purity 98%; 98% atom D
Solubility Soluble in Benzene (Slightly), Chloroform (Slightly), Methanol (Slightly, Heated)
Appearance Pale Yellow Solid
Storage Store at 2-8°C

Benzo[k]fluoranthene-[d12], a deuterated polycyclic aromatic hydrocarbon (PAH) frequently employed in scientific research and analysis due to its labeled isotopic nature, offers a myriad of crucial applications. Here are key applications presented with a high degree of perplexity and burstiness:

Environmental Monitoring: Widely utilized as an internal standard in environmental studies, Benzo[k]fluoranthene-[d12] plays a pivotal role in quantifying PAHs in soil, air, or water samples. Its deuterated form provides a distinctive mass spectrometric signature, facilitating precise quantification even in intricate sample matrices. This is essential for evaluating pollution levels and comprehending the distribution and sources of PAHs in the environment.

Analytical Chemistry: In the realm of analytical chemistry, Benzo[k]fluoranthene-[d12] serves as a standard for calibrating mass spectrometers during the analysis of PAHs in diverse samples. Its use ensures the reliability and accuracy of PAH analysis, crucial for adhering to environmental regulations. Researchers heavily rely on Benzo[k]fluoranthene-[d12] to validate their analytical methods and enhance detection limits.

Pharmacokinetic Studies: Employed in pharmacokinetic studies, the compound enables the tracking of PAH metabolism and elimination within biological systems. By leveraging a deuterated PAH, researchers can discriminate between naturally occurring PAHs and the introduced compound, gaining clearer insights into metabolic pathways. These studies are pivotal for comprehending the toxicokinetics of PAHs and potential health implications.

Toxicology Research: In the field of toxicology, Benzo[k]fluoranthene-[d12] is a valuable tool for investigating the mechanisms of PAH-induced toxicity. Its stable isotopic label allows researchers to monitor its distribution and identify metabolites formed during biotransformation processes. This application aids in unraveling the biological effects of PAHs and assessing the risks associated with exposure to these environmental contaminants.

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