4-tert-Butylpyridine
- Product Name4-tert-Butylpyridine
- CAS3978-81-2
- MFC9H13N
- MW135.21
- EINECS223-614-2
- MOL File3978-81-2.mol
Chemical Properties
| Melting point | -40°C(lit.) |
| Boiling point | 196-197 °C (lit.) |
| Density | 0.923 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point | 146 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| Water Solubility | Practically insoluble in water |
| form | Liquid |
| pka | pK1: 5.99(+1) (25°C) |
| color | Colorless to Light yellow to Light orange |
| BRN | 107594 |
| Henry's Law Constant | 3.9×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| InChI | InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3 |
| InChIKey | YSHMQTRICHYLGF-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(C(C)(C)C)=C1 |
| CAS DataBase Reference | 3978-81-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HS Code | 29333990 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
