3,4-Diethoxybenzeneacetonitrile

CAS Registry Number®

27472-21-5
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CAS Name

3,4-Diethoxybenzeneacetonitrile

Molecular Formula

C12H15NO2

Molecular Mass

205.25

Cite this Page

3,4-Diethoxybenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=27472-21-5 (retrieved 2024-04-28) (CAS RN: 27472-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    175-180 °C

  • Melting Point (1)

    37 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H15NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7H2,1-2H3

InChIKey

InChIKey=OBDKFHFLERWBBI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCC1=CC=C(OCC)C(OCC)=C1

Other Names for this Substance

  • Benzeneacetonitrile, 3,4-diethoxy-
  • Acetonitrile, (3,4-diethoxyphenyl)-
  • 3,4-Diethoxybenzeneacetonitrile
  • 3,4-Diethoxyphenylacetonitrile
  • 3,4-Diethoxybenzyl cyanide

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