α-Acetyl-3,4-dichlorobenzeneacetonitrile

CAS Registry Number®

6097-31-0
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CAS Name

α-Acetyl-3,4-dichlorobenzeneacetonitrile

Molecular Formula

C10H7Cl2NO

Molecular Mass

228.07

Cite this Page

α-Acetyl-3,4-dichlorobenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6097-31-0 (retrieved 2024-08-11) (CAS RN: 6097-31-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    161-163 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H7Cl2NO/c1-6(14)8(5-13)7-2-3-9(11)10(12)4-7/h2-4,8H,1H3

InChIKey

InChIKey=JDRJWFLOZMCQMW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetonitrile, α-acetyl-3,4-dichloro-
  • Acetoacetonitrile, 2-(3,4-dichlorophenyl)-
  • α-Acetyl-3,4-dichlorobenzeneacetonitrile
  • 2-(3,4-Dichloro-phenyl)-acetoacetonitrile
  • 2-(3,4-Dichlorophenyl)-3-oxobutanenitrile