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1-Nitropyrene
[CAS# 63021-86-3]

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Identification
Name 1-Nitropyrene
Synonyms Zinc00157143; C14421; Ncgc00164217-01
Molecular Formula C16H9NO2
Molecular Weight 247.25
CAS Registry Number 63021-86-3
SMILES C1=C4C3=C2C(=C1)C=CC=C2C=CC3=CC=C4[N+](=O)[O-]
InChI 1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
InChIKey ALRLPDGCPYIVHP-UHFFFAOYSA-N
Properties
Density 1.422g/cm3 (Cal.)
Melting point 152°C (Expl.)
Boiling point 445.456°C at 760 mmHg (Cal.)
Flash point 223.5°C (Cal.)
References
(1) Auréa Andrade-Eiroa, Valérie Leroy and Philippe Dagaut. Advances in PAHs/nitro-PAHs fractioning, Anal. Methods, 2010, 2, 2017.
Market Analysis Reports
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