4-tert-Butyl-2-nitrophenol
- Product Name4-tert-Butyl-2-nitrophenol
- CAS3279-07-0
- MFC10H13NO3
- MW195.22
- EINECS221-914-8
- MOL File3279-07-0.mol
Chemical Properties
| Melting point | 27-29 °C(lit.) |
| Boiling point | 97 °C1 mm Hg(lit.) |
| Density | 1.12 g/mL at 25 °C(lit.) |
| refractive index | 1.5500-1.5530 |
| Flash point | >230 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly) |
| form | Yellow to Dark Yellow Oil to Semi-Solid |
| pka | 7.37±0.14(Predicted) |
| color | Orange to Brown |
| Stability | Hygroscopic |
| InChI | 1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3 |
| InChIKey | IHGNADPMUSNTJW-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(O)c(c1)[N+]([O-])=O |
| CAS DataBase Reference | 3279-07-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Tert-butyl-2-nitrophenol(3279-07-0) |
| EPA Substance Registry System | Phenol, 4-(1,1-dimethylethyl)-2-nitro- (3279-07-0) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29089990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
