5-Fluoro-2-nitrobenzeneacetonitrile

CAS Registry Number®

3456-75-5
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CAS Name

5-Fluoro-2-nitrobenzeneacetonitrile

Molecular Formula

C8H5FN2O2

Molecular Mass

180.14

Cite this Page

5-Fluoro-2-nitrobenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3456-75-5 (retrieved 2024-04-28) (CAS RN: 3456-75-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    64-65 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H5FN2O2/c9-7-1-2-8(11(12)13)6(5-7)3-4-10/h1-2,5H,3H2

InChIKey

InChIKey=YETOJTGGLXHUCS-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(CC#N)C=C(F)C=C1

Canonical SMILES

N#CCC1=CC(F)=CC=C1N(=O)=O

Other Names for this Substance

  • Benzeneacetonitrile, 5-fluoro-2-nitro-
  • Acetonitrile, (5-fluoro-2-nitrophenyl)-
  • 5-Fluoro-2-nitrobenzeneacetonitrile
  • (5-Fluoro-2-nitrophenyl)acetonitrile
  • 2-(5-Fluoro-2-nitrophenyl)acetonitrile

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