3-Nitro-2-butanol
- Product Name3-Nitro-2-butanol
- CAS6270-16-2
- MFC4H9NO3
- MW119.12
- EINECS228-447-9
- MOL File6270-16-2.mol
Chemical Properties
| Melting point | 21.25°C (estimate) |
| Boiling point | 55 °C/0.5 mmHg (lit.) |
| Density | 1.1 g/mL at 25 °C (lit.) |
| refractive index | n 20/D 1.441 (lit.) |
| Flash point | 91 °C - closed cup |
| form | liquid |
| pka | 7.36±0.19(Predicted) |
| Henry's Law Constant | 9.9×101 mol/(m3Pa) at 25℃, Raventos-Duran et al. (2010) |
| InChI | 1S/C4H9NO3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3 |
| InChIKey | OJVOGABFNZDOOZ-UHFFFAOYSA-N |
| SMILES | CC(O)C(C)[N+]([O-])=O |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | 3 |
| RTECS | EL5900000 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |