1-Bromopinacolone
Synonym(s):1-Bromo-3,3-dimethyl-2-butanone;Bromomethyl tert-butyl ketone
- CAS NO.：5469-26-1
- Empirical Formula: C6H11BrO
- Molecular Weight: 179.05
- MDL number: MFCD00000206
- EINECS: 226-794-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-10-23 13:36:13
What is 1-Bromopinacolone?
Chemical properties
clear pale yellow to yellow-brownish liquid
The Uses of 1-Bromopinacolone
1-Bromopinacolone is used as an iIntermediate for triazole compounds ( a five-membered ring structure compound contains three nitrogens and two carbons in the ring) which have biological activities such as antiviral, antibacterial, antifungal and antituberculous.
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.
Properties of 1-Bromopinacolone
| Melting point: | -10 °C (lit.) |
| Boiling point: | 188-194 °C (lit.) |
| Density | 1.331 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 195 °F |
| storage temp. | -20°C |
| solubility | Chloroform, Methanol |
| form | Liquid |
| color | Clear pale yellow to yellow-brownish |
| Water Solubility | Insoluble in water. |
| BRN | 506485 |
| CAS DataBase Reference | 5469-26-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butanone, 1-bromo-3,3-dimethyl-(5469-26-1) |
Safety information for 1-Bromopinacolone
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1-Bromopinacolone
| InChIKey | SAIRZMWXVJEBMO-UHFFFAOYSA-N |
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