5-Nitrofurfural

CAS Registry Number®

698-63-5

CAS Name

5-Nitrofurfural

Molecular Formula

C5H3NO4

Molecular Mass

141.08

Cite this Page

5-Nitrofurfural.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=698-63-5 (retrieved 2024-11-22) (CAS RN: 698-63-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    128-132 °C @ Press: 10 Torr

  • Melting Point (1)

    35-36 °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/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H

InChIKey

InChIKey=SXINBFXPADXIEY-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1OC(C=O)=CC1

Canonical SMILES

O=CC=1OC(=CC1)N(=O)=O

Other Names for this Substance

  • 2-Furancarboxaldehyde, 5-nitro-
  • 2-Furaldehyde, 5-nitro-
  • 5-Nitro-2-furancarboxaldehyde
  • 5-Nitro-2-furaldehyde
  • 5-Nitrofurfural

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