2-(2-Oxopropyl)benzonitrile

CAS Registry Number®

73013-48-6

CAS Name

2-(2-Oxopropyl)benzonitrile

Molecular Formula

C10H9NO

Molecular Mass

159.18

Cite this Page

2-(2-Oxopropyl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73013-48-6 (retrieved 2024-10-05) (CAS RN: 73013-48-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120-122 °C @ Press: 5 Torr

  • Melting Point (1)

    28-29 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C10H9NO/c1-8(12)6-9-4-2-3-5-10(9)7-11/h2-5H,6H2,1H3

InChIKey

InChIKey=IBBZXXNFIDTUNC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C=CC=CC1CC(=O)C

Other Names for this Substance

  • Benzonitrile, 2-(2-oxopropyl)-
  • 2-(2-Oxopropyl)benzonitrile
  • (o-Cyano-phenyl) acetone

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