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1,8-Dinitro-Benzo[E]Pyrene
[CAS# 120812-49-9]

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Identification
Name 1,8-Dinitro-Benzo[E]Pyrene
Synonyms Ccris 2863
Molecular Structure CAS#: 120812-49-9, 1,8-Dinitro-Benzo[E]Pyrene
Molecular Formula C20H10N2O4
Molecular Weight 342.31
CAS Registry Number 120812-49-9
SMILES C2=C5C4=C1C(=C([N+]([O-])=O)C=CC1=C2)C3=CC=CC=C3C4=C([N+]([O-])=O)C=C5
InChI 1S/C20H10N2O4/c23-21(24)15-9-7-11-5-6-12-8-10-16(22(25)26)20-14-4-2-1-3-13(14)19(15)17(11)18(12)20/h1-10H
InChIKey VYHYUQJBLGBWIS-UHFFFAOYSA-N
Properties
Density 1.557g/cm3 (Cal.)
Boiling point 597.099°C at 760 mmHg (Cal.)
Flash point 297.99°C (Cal.)
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