4-(1,1-Dimethylethyl)-2,6-dimethylbenzonitrile

CAS Registry Number®

88166-76-1
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CAS Name

4-(1,1-Dimethylethyl)-2,6-dimethylbenzonitrile

Molecular Formula

C13H17N

Molecular Mass

187.28

Cite this Page

4-(1,1-Dimethylethyl)-2,6-dimethylbenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88166-76-1 (retrieved 2024-07-05) (CAS RN: 88166-76-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    104-107 °C @ Press: 5 Torr

  • Melting Point (1)

    64.5-66.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H17N/c1-9-6-11(13(3,4)5)7-10(2)12(9)8-14/h6-7H,1-5H3

InChIKey

InChIKey=OIOQMLCBUREXCF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzonitrile, 4-(1,1-dimethylethyl)-2,6-dimethyl-
  • 4-(1,1-Dimethylethyl)-2,6-dimethylbenzonitrile
  • 4-tert-Butyl-2,6-dimethylbenzonitrile
  • 2,6-Dimethyl-4-tert-butylbenzonitrile
  • 4-tert-Butyl-2,6-dimethyl-1-cyanobenzene