1-Bromopinacolone
ALDRICH/414131 - ≥97%
Synonym: 1-
CAS Number: 5469-26-1
Empirical Formula (Hill Notation): C6H11BrO
Molecular Weight: 179.05
EC Number: 226-794-0
MDL Number: MFCD00000206
Linear Formula: (CH3)3CCOCH2Br
Product Type: Chemical
| assay | ≥97% |
| bp | 188-194 °C (lit.) |
| density | 1.331 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C6H11BrO/c1-6(2,3)5(8) |
| InChI key | SAIRZMWXVJEBMO-UHFFFAOYSA |
| mp | −10 °C (lit.) |
| refractive index | n |
| SMILES string | CC(C)(C)C(=O)CBr |
| storage temp. | −20°C |
| Application: | 1-Bromopinacolone is the suitable reagent for the synthesis of a photolabile azido derivative of the kaurene oxidase inhibitor 1-(4- chlorophenyl)4,4-dimethyl |
| General description: | 1-Bromopinacolone is an α-bromoketone-aldehyde. Coupling of 1-bromopinacolone with various aldehyde electrophiles catalyzed by SmI2 has been reported. It acts as reversible competitive inhibitor for acetylcholinesterase, during hydrolysis of acetylcholine. |
| Packaging: | 5, 25 mL in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26 |
| RIDADR | UN 3334 |
| WGK Germany | WGK 3 |
| Flash Point(F) | 167.0 °F - closed cup |
| Flash Point(C) | 75 °C - closed cup |
| Purity | ≥97% |
| bp | 188-194 °C (lit.) |
| mp | −10 °C (lit.) |
| Density | 1.331 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | −20°C |
| UNSPSC | 12352100 |