3222-49-9
| Name | 5-Methylnicotinic acid |
| CAS | 3222-49-9 |
| EINECS(EC#) | 608-720-2 |
| Molecular Formula | C7H7NO2 |
| MDL Number | MFCD00829036 |
| Molecular Weight | 137.14 |
| MOL File | 3222-49-9.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). |
| form | Solid:particulate/powder |
| pka | 2.27±0.10(Predicted) |
| Appearance | White to off-white Solid |
| 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 Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| REACH Registrations | Active |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |