α-Acetyl-3-chlorobenzeneacetonitrile

CAS Registry Number®

14123-79-6
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CAS Name

α-Acetyl-3-chlorobenzeneacetonitrile

Molecular Formula

C10H8ClNO

Molecular Mass

193.63

Cite this Page

α-Acetyl-3-chlorobenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14123-79-6 (retrieved 2024-08-24) (CAS RN: 14123-79-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84-86 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H8ClNO/c1-7(13)10(6-12)8-3-2-4-9(11)5-8/h2-5,10H,1H3

InChIKey

InChIKey=MNRQQONRVUGHLY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC(C=1C=CC=C(Cl)C1)C(=O)C

Other Names for this Substance

  • Benzeneacetonitrile, α-acetyl-3-chloro-
  • Acetoacetonitrile, 2-(m-chlorophenyl)-
  • α-Acetyl-3-chlorobenzeneacetonitrile
  • 2-(3-Chloro-phenyl)-3-oxo-butyronitrile
  • 2-(3-Chlorophenyl)-3-oxobutanenitrile