3-Acetylbenzonitrile

CAS Registry Number®

6136-68-1
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CAS Name

3-Acetylbenzonitrile

Molecular Formula

C9H7NO

Molecular Mass

145.16

Cite this Page

3-Acetylbenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6136-68-1 (retrieved 2024-04-20) (CAS RN: 6136-68-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    98-100 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3

InChIKey

InChIKey=SBCFGFDAZCTSRH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=CC(=C1)C(=O)C

Other Names for this Substance

  • Benzonitrile, 3-acetyl-
  • Benzonitrile, m-acetyl-
  • 3-Acetylbenzonitrile
  • 3′-Cyanoacetophenone
  • m-Cyanoacetophenone

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