1-Nitropyrene

CAS Registry Number®

5522-43-0

CAS Name

1-Nitropyrene

Molecular Formula

C16H9NO2

Molecular Mass

247.25

Cite this Page

1-Nitropyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5522-43-0 (retrieved 2024-11-22) (CAS RN: 5522-43-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

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

InChIKey=ALRLPDGCPYIVHP-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1

Canonical SMILES

O=N(=O)C1=CC=C2C=CC3=CC=CC=4C=CC1=C2C34

Other Names for this Substance

  • Pyrene, 1-nitro-
  • 1-Nitropyrene
  • 3-Nitropyrene
  • NSC 81340

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