1-Bromo-3,5-dimethyladamantane
Synonym(s):1-Bromo-3,5-dimethyladamantane;1-Bromo-3,5-dimethyltricyclo[3.3.1.13,7]decane
- CAS NO.：941-37-7
- Empirical Formula: C12H19Br
- Molecular Weight: 243.18
- MDL number: MFCD00077197
- EINECS: 213-378-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is 1-Bromo-3,5-dimethyladamantane?
Chemical properties
Clear Colorless Oil
The Uses of 1-Bromo-3,5-dimethyladamantane
1-Bromo-3,5-dimethyladamantane was used in the one pot synthesis of 1,3-dicarbonyl adamantanes. It was also used in the synthesis of 3,5-dimethyladamantan-1-ol.
Properties of 1-Bromo-3,5-dimethyladamantane
| Boiling point: | 201 °C (lit.) |
| Density | 1.224 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 228 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Sparingly), Dichloromethane (Slightly), Methanol (Slightly) |
| form | Oil |
| color | Colourless to Pale Yellow |
| Specific Gravity | 1.224 |
| BRN | 1927514 |
| InChI | InChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3 |
| CAS DataBase Reference | 941-37-7(CAS DataBase Reference) |
Safety information for 1-Bromo-3,5-dimethyladamantane
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. 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-Bromo-3,5-dimethyladamantane
| InChIKey | QUCXLVDIVQWYJR-UHFFFAOYSA-N |
| SMILES | C12(Br)CC3(C)CC(CC(C)(C3)C1)C2 |
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