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Benzo[g,h,i]perylene-[d12]

General Information
Catalog: BLP-010698
CAS: 93951-66-7
Molecular Formula: C22D12
Molecular Weight: 288.41
Chemical Structure
Benzo[g,h,i]perylene-[d12]
Synonyms Benzo[g,h,i]perylene-d12; Benzo[ghi]perylene-1,2,3,4,5,6,7,8,9,10,11,12-d12; 1,12-Benzoperylene-d12; NSC 89275-d12; Benzo[ghi]perylene-d12
IUPAC Name 1,2,4,5,7,8,10,11,13,14,15,22-dodecadeuteriohexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
Related CAS 191-24-2 (unlabelled)
Isomeric SMILES [2H]C1=C(C2=C3C(=C1[2H])C4=C(C(=C(C5=C4C6=C(C(=C5[2H])[2H])C(=C(C(=C36)C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
Canonical SMILES C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2
InChI InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChI Key GYFAGKUZYNFMBN-AQZSQYOVSA-N
Melting Point >170°C (dec.)
Purity 98%; 98% atom D
Solubility Slightly soluble in Dichloromethane, DMSO (Heated), Methanol (Heated)
Appearance Yellow to Dark Brown Solid
Storage Store at 2-8°C

Benzo[g,h,i]perylene-[d12] is a deuterated polycyclic aromatic hydrocarbon (PAH) used primarily as a tracer and in analytical studies. Here are some key applications of Benzo[g,h,i]perylene-[d12]:

Environmental Monitoring: Benzo[g,h,i]perylene-[d12] is frequently employed in environmental studies to trace PAH pollution sources. As a stable isotope-labeled compound, it acts as an internal standard in gas chromatography-mass spectrometry (GC-MS) analyses. This allows for accurate quantification and assessment of PAH contamination in soil, water, and air samples.

Combustion Research: Researchers use Benzo[g,h,i]perylene-[d12] to study combustion processes and the formation of PAHs during incomplete combustion. By analyzing how this compound behaves under different combustion conditions, scientists can better understand emissions from engines and other combustion sources. This information supports the development of cleaner combustion technologies and air pollution controls.

Material Science: In materials science, Benzo[g,h,i]perylene-[d12] can be used to study the interaction of PAHs with different materials such as polymers and coatings. This helps in designing materials that can resist PAH deposition or adsorption. Understanding these interactions is crucial for developing protective coatings in environments exposed to PAH contamination.

Reference Standards: Benzo[g,h,i]perylene-[d12] serves as a high-purity reference standard in analytical laboratories. It is used to calibrate instruments and validate analytical methods for determining PAH concentrations. This ensures that analytical results are reliable and traceable, which is essential for environmental regulations and public health assessments.

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