70165-31-0
| Name | 6-CYANONICOTINIC ACID |
| CAS | 70165-31-0 |
| EINECS(EC#) | 626-716-9 |
| Molecular Formula | C7H4N2O2 |
| MDL Number | MFCD01318135 |
| Molecular Weight | 148.12 |
| MOL File | 70165-31-0.mol |
Chemical Properties
| Melting point | 190-194 °C(lit.) |
| Boiling point | 395.9±27.0 °C(Predicted) |
| density | 1.42±0.1 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Soluble in alcohol. |
| form | Oil |
| pka | 2.81±0.10(Predicted) |
| color | Clear Yellow |
| Detection Methods | HPLC |
| BRN | 4384027 |
| InChI | 1S/C7H4N2O2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4H,(H,10,11) |
| InChIKey | WMHSQCDPPJRWIL-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc(nc1)C#N |
| CAS DataBase Reference | 70165-31-0(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3439 |
| WGK Germany | 3 |
| Hazard Note | Harmful |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29333990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
