2-(1,1-Dimethylethyl)benzonitrile

CAS Registry Number®

68527-72-0

CAS Name

2-(1,1-Dimethylethyl)benzonitrile

Molecular Formula

C11H13N

Molecular Mass

159.23

Cite this Page

2-(1,1-Dimethylethyl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68527-72-0 (retrieved 2024-12-19) (CAS RN: 68527-72-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    243-244 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H13N/c1-11(2,3)10-7-5-4-6-9(10)8-12/h4-7H,1-3H3

InChIKey

InChIKey=RIDOCOLYIBIAKM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C=CC=CC1C(C)(C)C

Other Names for this Substance

  • Benzonitrile, 2-(1,1-dimethylethyl)-
  • Benzonitrile, o-tert-butyl-
  • 2-(1,1-Dimethylethyl)benzonitrile
  • 2-tert-Butylbenzonitrile

CAS INSIGHTSTM
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