4-Chloro-α-(1-oxopropyl)benzeneacetonitrile

CAS Registry Number®

55474-40-3
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CAS Name

4-Chloro-α-(1-oxopropyl)benzeneacetonitrile

Molecular Formula

C11H10ClNO

Molecular Mass

207.66

Cite this Page

4-Chloro-α-(1-oxopropyl)benzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=55474-40-3 (retrieved 2024-04-29) (CAS RN: 55474-40-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    50-52 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H10ClNO/c1-2-11(14)10(7-13)8-3-5-9(12)6-4-8/h3-6,10H,2H2,1H3

InChIKey

InChIKey=NKRGJBDEEGULAN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetonitrile, 4-chloro-α-(1-oxopropyl)-
  • Valeronitrile, 2-(p-chlorophenyl)-3-oxo-
  • 4-Chloro-α-(1-oxopropyl)benzeneacetonitrile
  • 2-(4-Chlorophenyl)-3-oxopentanenitrile

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