Benzonitrile, 2-(1,1-dimethylethyl)-
2-tert-butylbenzonitrile
Also Known As: 2-tert-butylbenzonitrile|o-tert-Butylbenzonitrile|Benzonitrile, 2-(1,1-dimethylethyl)-|2-(tert-butyl)benzonitrile|2-(1,1-Dimethylethyl)benzonitrile|2-(1,1-dimethylethyl)-Benzonitrile
CAS: 68527-72-0
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.1048 g/mol |
| LogP | 2.86 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 312.5 |
Chemical Identifiers
| CAS Number | 68527-72-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1C#N |
Product Overview
Benzonitrile, 2-(1,1-dimethylethyl)- (CAS 68527-72-0), with molecular formula C11H13N and molecular weight 159.1048 g/mol. IUPAC: 2-tert-butylbenzonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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