3-Bromoadamantane-1-carboxylic acid
- Product Name3-Bromoadamantane-1-carboxylic acid
- CAS21816-08-0
- MFC11H15BrO2
- MW259.14
- EINECS
- MOL File21816-08-0.mol
Chemical Properties
| Melting point | 147 °C |
| Boiling point | 354.2±25.0 °C(Predicted) |
| Density | 1.665±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pka | 4.35±0.40(Predicted) |
| form | Solid |
| color | Pale Brown |
| InChI | InChI=1S/C11H15BrO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14) |
| InChIKey | DJUDQBVINJIMFO-UHFFFAOYSA-N |
| SMILES | C12(C(O)=O)CC3CC(CC(Br)(C3)C1)C2 |
| CAS DataBase Reference | 21816-08-0(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39-37/39 |
| WGK Germany | 3 |
| RTECS | AU4452500 |
| HazardClass | IRRITANT |
| HS Code | 2916200090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
