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CAS 93951-98-5

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Benz[e]acephenanthrylene-d12

Description:
Benz[e]acephenanthrylene-d12 is a deuterated polycyclic aromatic hydrocarbon (PAH) characterized by its complex fused ring structure, which consists of multiple aromatic rings. The "d12" designation indicates that the compound is labeled with twelve deuterium atoms, which are isotopes of hydrogen, enhancing its utility in various analytical applications, particularly in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. This compound is typically used in research settings, including studies on environmental chemistry, toxicology, and material science, due to its stability and unique electronic properties. Benz[e]acephenanthrylene itself is known for its potential carcinogenicity and is often investigated for its behavior in biological systems and its environmental persistence. The presence of deuterium allows for more precise tracking and analysis in experimental conditions. As with many PAHs, it is important to handle Benz[e]acephenanthrylene-d12 with care, following appropriate safety protocols to mitigate any health risks associated with exposure.
Formula:C20H12
InChI:InChI=1/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChI key:InChIKey=FTOVXSOBNPWTSH-AQZSQYOVSA-N
SMILES:C12=C3C=4C(C1=C(C(=C(C2=C5C(=C3[2H])C(=C(C(=C5[2H])[2H])[2H])[2H])[2H])[2H])[2H])=C(C(=C(C4[2H])[2H])[2H])[2H]
Synonyms:
  • Benz[e]acephenanthrylene-d12
  • Benzo[b]fluoranthene-d12
  • Benz[e]acephenanthrylene-1,2,3,4,5,6,7,8,9,10,11,12-d12
  • [2H12]-Benzo(b)fluoranthene
  • BENZ(E)ACEPHENANTHRYLENE-D12, 98 ATOM % D
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