4-(Bromomethyl)-5,5-dimethyl-2-oxo-5,6-dihydro-2H-pyran-3-carbonitrile
4-(bromomethyl)-3,3-dimethyl-6-oxo-2H-pyran-5-carbonitrile
Also Known As: 4-(bromomethyl)-3,3-dimethyl-6-oxo-2H-pyran-5-carbonitrile|4- -5,5-dimethyl-2-oxo-6H-pyran-3-carbonitrile|4-(Bromomethyl)-5,5-dimethyl-2-oxo-5,6-dihydro-2H-pyran-3-carbonitrile|2H-Pyran-3-carbonitrile,4-(bromomethyl)-5,6-dihydro-5,5-dimethyl-2-oxo-
CAS: 80946-00-5
| Molecular Formula | C9H10BrNO2 |
|---|---|
| Molecular Weight | 242.98949 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.98949 |
| Monoisotopic Mass | 242.98949 |
| Heavy Atoms | 13 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 80946-00-5 |
|---|---|
| SMILES | CC1(COC(=O)C(=C1CBr)C#N)C |
| InChIKey | GXPCCPGQNNYDBU-UHFFFAOYSA-N |
Product Overview
4-(Bromomethyl)-5,5-dimethyl-2-oxo-5,6-dihydro-2H-pyran-3-carbonitrile (CAS 80946-00-5), with molecular formula C9H10BrNO2 and molecular weight 242.98949 g/mol. IUPAC: 4-(bromomethyl)-3,3-dimethyl-6-oxo-2H-pyran-5-carbonitrile.
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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4-(Bromomethyl)-5,5-dimethyl-2-oxo-5,6-dihydro-2H-pyran-3-carbonitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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