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Indeno[1,2,3-c,d]pyrene-[d12]

General Information
Catalog: BLP-011900
CAS: 203578-33-0
Molecular Formula: C22D12
Molecular Weight: 288.41
Chemical Structure
Indeno[1,2,3-c,d]pyrene-[d12]
Synonyms Indeno[1,2,3-c,d]pyrene-d12; Indeno[1,2,3-cd]pyrene-1,2,3,4,5,6,7,8,9,10,11,12-d12; (2H12)Indeno[1,2,3-cd]pyrene
IUPAC Name 3,4,5,6,9,10,12,13,15,16,17,22-dodecadeuteriohexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene
Related CAS 193-39-5 (unlabelled)
Canonical SMILES C1=CC=C2C(=C1)C3=C4C2=CC5=CC=CC6=C5C4=C(C=C6)C=C3
InChI InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChI Key SXQBHARYMNFBPS-AQZSQYOVSA-N
Melting Point >155°C (dec.)
Purity 98% atom D
Solubility Soluble in Chloroform, Methanol
Appearance Dark Yellow to Dark Beige Solid
Storage Store at -20°C

Indeno[1,2,3-c,d]pyrene-[d12] is a stable isotopically labeled compound often used in various scientific and research applications. Here are some key applications of Indeno[1,2,3-c,d]pyrene-[d12]:

Environmental Monitoring: Indeno[1,2,3-c,d]pyrene-[d12] is used as an internal standard in environmental studies to track and quantify polycyclic aromatic hydrocarbon (PAH) pollutants. By using this labeled compound, researchers can accurately measure the concentration of PAHs in soil, air, or water samples. This provides critical data for assessing pollution levels and investigating the sources and impacts of environmental contamination.

Analytical Chemistry: In analytical chemistry, Indeno[1,2,3-c,d]pyrene-[d12] serves as a reference standard for quantifying PAHs in complex mixtures via mass spectrometry or chromatography. Its stable isotope labeling allows for precise differentiation from naturally occurring PAHs, enhancing the accuracy of analytical results. This is essential in quality control, compliance testing, and forensic investigations.

Health Risk Assessment: Indeno[1,2,3-c,d]pyrene-[d12] is employed in toxicology studies to understand the behavior and impact of PAHs on human health. By studying the metabolism and distribution of this compound in biological systems, researchers can better assess the exposure risks associated with PAHs. This information aids in developing regulatory policies and safety guidelines.

Pharmaceutical Development: In the pharmaceutical industry, Indeno[1,2,3-c,d]pyrene-[d12] can be used in drug metabolism and pharmacokinetic studies. Its role as a labeled compound helps in tracking metabolic pathways and understanding the biotransformation of potential drugs. This supports the optimization of drug design and the prediction of drug interactions and efficacy.

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