α-Acetylbenzeneacetonitrile

CAS Registry Number®

4468-48-8

CAS Name

α-Acetylbenzeneacetonitrile

Molecular Formula

C10H9NO

Molecular Mass

159.18

Cite this Page

α-Acetylbenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4468-48-8 (retrieved 2025-03-28) (CAS RN: 4468-48-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120 °C @ Press: 0.03 Torr

  • Melting Point (2)

    78-79 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KHNWFTMUBKJWRZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC(C=1C=CC=CC1)C(=O)C

Other Names for this Substance

  • Benzeneacetonitrile, α-acetyl-
  • Acetoacetonitrile, 2-phenyl-
  • α-Acetylbenzeneacetonitrile
  • α-Phenylacetoacetonitrile
  • 1-Cyano-1-phenylpropan-2-one

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Deleted or Replaced CAS Registry Numbers

128252-19-7

CAS INSIGHTSTM
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