4-(1H-Indol-3-yl)butan-2-one
- Product Name4-(1H-Indol-3-yl)butan-2-one
- CAS5541-89-9
- MFC12H13NO
- MW187.24
- EINECS
- MOL File5541-89-9.mol
Chemical Properties
| Melting point | 94 °C |
| Boiling point | 356.1±17.0 °C(Predicted) |
| Density | 1.136±0.06 g/cm3(Predicted) |
| storage temp. | Store at room temperature |
| pka | 17.13±0.30(Predicted) |
| form | solid |
| Appearance | White to off-white Solid |
| InChI | 1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3 |
| InChIKey | ZJCUUXGLZWBCIL-UHFFFAOYSA-N |
| SMILES | CC(=O)CCc1c[nH]c2ccccc12 |
Safety Information
| Hazard Codes | Xi |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 2933998090 |
| Storage Class | 11 - Combustible Solids |