5-Methylnicotinic acid
- Product Name5-Methylnicotinic acid
- CAS3222-49-9
- MFC7H7NO2
- MW137.14
- EINECS608-720-2
- MOL File3222-49-9.mol
Chemical Properties
| Melting point | 210-212°C |
| Boiling point | 303.9±22.0 °C(Predicted) |
| Density | 1.230±0.06 g/cm3(Predicted) |
| vapor pressure | 0.328Pa at 25℃ |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Sparingly soluble (0.083 g/L at 25°C). |
| pka | 2.27±0.10(Predicted) |
| form | Solid:particulate/powder |
| BRN | 112288 |
| InChI | InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10) |
| InChIKey | DJDHHXDFKSLEQY-UHFFFAOYSA-N |
| SMILES | C1=NC=C(C)C=C1C(O)=O |
| LogP | 1.23 |
| CAS DataBase Reference | 3222-49-9(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29339900 |
