2739-97-1
| Name | 2-Pyridylacetonitrile |
| CAS | 2739-97-1 |
| EINECS(EC#) | 220-364-6 |
| Molecular Formula | C7H6N2 |
| MDL Number | MFCD00006346 |
| Molecular Weight | 118.14 |
| MOL File | 2739-97-1.mol |
Chemical Properties
| Melting point | 23-25°C |
| Boiling point | 76-77 °C/2 mmHg (lit.) |
| density | 1.059 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 201 °F |
| storage temp. | 2-8°C, stored under nitrogen |
| solubility | soluble in Chloroform, Methanol |
| form | powder to lump to clear liquid |
| pka | 3.22±0.12(Predicted) |
| color | White or Colorless to Yellow to Orange |
| Water Solubility | Miscible with water. |
| Detection Methods | GC,NMR |
| BRN | 111215 |
| InChI | 1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2 |
| InChIKey | UKVQBONVSSLJBB-UHFFFAOYSA-N |
| SMILES | N#CCc1ccccn1 |
| CAS DataBase Reference | 2739-97-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Pyridylacetonitrile(2739-97-1) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3276 6.1/PG 3 |
| WGK Germany | 3 |
| F | 2-8-9 |
| REACH Registrations | Active |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29333990 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |