3,5-Di-tert-butylbenzonitrile
3,5-ditert-butylbenzonitrile
Also Known As: 3,5-di-tert-butylbenzonitrile|3,5-ditert-butylbenzonitrile|3,5-di-t-butylbenzonitrile|3, 5-di-tert-butylbenzonitrile|3,5-bis(tert-butyl)benzenecarbonitrile|J3.025.916E
CAS: 99758-64-2
| Molecular Formula | C15H21N |
|---|---|
| Molecular Weight | 215.1674 g/mol |
| LogP | 4.15328 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.1674 |
| Monoisotopic Mass | 215.1674 |
| Heavy Atoms | 16 |
| Complexity | 389.9689 |
Chemical Identifiers
| CAS Number | 99758-64-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C#N)C(C)(C)C |
Product Overview
3,5-Di-tert-butylbenzonitrile (CAS 99758-64-2), with molecular formula C15H21N and molecular weight 215.1674 g/mol. IUPAC: 3,5-ditert-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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