2-Oxocyclohexaneacetonitrile

CAS Registry Number®

42185-27-3
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CAS Name

2-Oxocyclohexaneacetonitrile

Molecular Formula

C8H11NO

Molecular Mass

137.18

Cite this Page

2-Oxocyclohexaneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42185-27-3 (retrieved 2024-08-04) (CAS RN: 42185-27-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    137-139 °C @ Press: 10 Torr

  • Melting Point (1)

    25-26 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h7H,1-5H2

InChIKey

InChIKey=NDKUZEVDMZDUGK-UHFFFAOYSA-N

SMILES

C(C#N)C1C(=O)CCCC1

Canonical SMILES

N#CCC1C(=O)CCCC1

Other Names for this Substance

  • Cyclohexaneacetonitrile, 2-oxo-
  • 2-Oxocyclohexaneacetonitrile
  • 2-(Cyanomethyl)cyclohexanone
  • 2-(2-Oxocyclohexyl)acetonitrile

Deleted or Replaced CAS Registry Numbers

74629-98-4