69212-31-3
| Name | 2-(BENZYLTHIO)-3-NITROPYRIDINE |
| CAS | 69212-31-3 |
| Molecular Formula | C12H10N2O2S |
| MDL Number | MFCD00209547 |
| Molecular Weight | 246.29 |
| MOL File | 69212-31-3.mol |
Chemical Properties
| Melting point | 70-72 °C (lit.) |
| Boiling point | 394.6±37.0 °C(Predicted) |
| density | 1.32±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C, stored under nitrogen |
| form | solid |
| pka | -0.58±0.22(Predicted) |
| Appearance | Off-white to yellow Solid |
| InChI | InChI=1S/C12H10N2O2S/c15-14(16)11-7-4-8-13-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2 |
| InChIKey | CRGAGHBQCBIQPJ-UHFFFAOYSA-N |
| SMILES | C1(SCC2=CC=CC=C2)=NC=CC=C1[N+]([O-])=O |
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 |
| HS Code | 2933399090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |