3,5-Dimethylbenzeneacetonitrile

CAS Registry Number®

39101-54-7
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CAS Name

3,5-Dimethylbenzeneacetonitrile

Molecular Formula

C10H11N

Molecular Mass

145.20

Cite this Page

3,5-Dimethylbenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=39101-54-7 (retrieved 2024-05-02) (CAS RN: 39101-54-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    132 °C

  • Melting Point (1)

    45 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3

InChIKey

InChIKey=LMUKNQSVBFEUKR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCC=1C=C(C=C(C1)C)C

Other Names for this Substance

  • Benzeneacetonitrile, 3,5-dimethyl-
  • Acetonitrile, (3,5-xylyl)-
  • 3,5-Dimethylbenzeneacetonitrile
  • (3,5-Dimethylphenyl)acetonitrile
  • 3,5-Dimethylbenzyl cyanide

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