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| IUPAC Name: | 1-bromo-3,3-dimethylbutan-2-one |
| Description: | 1-Bromopinacolone (CAS# 5469-26-1) is acts initially as a reversible competitive inhibitor for acetylcholinesterase. It is also a versatile building block for the synthesis of pharmaceutical and chemical Compounds, such as Triadimefon (T767120), and β-(4-Chlorophenoxy)-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol (C375060), acting as fungicide. |
| Molecular Weight: | 179.05 |
| Molecular Formula: | C6H11BrO |
| Canonical SMILES: | CC(C)(C)C(=O)CBr |
| InChI: | InChI=1S/C6H11BrO/c1-6(2,3)5(8)4-7/h4H2,1-3H3 |
| InChI Key: | SAIRZMWXVJEBMO-UHFFFAOYSA-N |
| Boiling Point: | 189-192 ℃ |
| Density: | 1.331 g/cm3 |
| MDL: | MFCD00000206 |
| LogP: | 1.99650 |
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