4-Nitrophenylacetonitrile

CAS Registry Number®

555-21-5
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CAS Name

4-Nitrophenylacetonitrile

Molecular Formula

C8H6N2O2

Molecular Mass

162.15

Cite this Page

4-Nitrophenylacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=555-21-5 (retrieved 2024-04-29) (CAS RN: 555-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    117 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2

InChIKey

InChIKey=PXNJGLAVKOXITN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCC1=CC=C(C=C1)N(=O)=O

Other Names for this Substance

  • Benzeneacetonitrile, 4-nitro-
  • Acetonitrile, (p-nitrophenyl)-
  • 4-Nitrobenzeneacetonitrile
  • p-Nitrobenzyl cyanide
  • p-Nitro-α-tolunitrile

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