2-(1,1-Dimethylethyl)benzonitrile
CAS Registry Number®
68527-72-0
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CAS Name
2-(1,1-Dimethylethyl)benzonitrileMolecular Formula
C11H13NMolecular Mass
159.23Cite 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 ) (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
