5-Methyl-2-nitrobenzeneacetonitrile

CAS Registry Number®

91192-26-6
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CAS Name

5-Methyl-2-nitrobenzeneacetonitrile

Molecular Formula

C9H8N2O2

Molecular Mass

176.17

Cite this Page

5-Methyl-2-nitrobenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91192-26-6 (retrieved 2024-08-17) (CAS RN: 91192-26-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    79.5-80.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8N2O2/c1-7-2-3-9(11(12)13)8(6-7)4-5-10/h2-3,6H,4H2,1H3

InChIKey

InChIKey=HTFMPKGLRJBOEF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetonitrile, 5-methyl-2-nitro-
  • Acetonitrile, (6-nitro-m-tolyl)-
  • 5-Methyl-2-nitrobenzeneacetonitrile
  • 2-(5-Methyl-2-nitrophenyl)acetonitrile