135969-64-1
| Name | (3A S-CIS)-(-)-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-2-ONE |
| CAS | 135969-64-1 |
| Molecular Formula | C10H9NO2 |
| MDL Number | MFCD00674089 |
| Molecular Weight | 175.18 |
| MOL File | 135969-64-1.mol |
Chemical Properties
| Melting point | 203-209 °C(lit.) |
| Boiling point | 435.0±45.0 °C(Predicted) |
| density | 1.284±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| pka | 11.68±0.20(Predicted) |
| Appearance | White to off-white Solid |
| Optical Rotation | [α]22/D 76°, c = 0.65 in ethyl acetate |
| InChI | 1S/C10H9NO2/c12-10-11-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-4,8-9H,5H2,(H,11,12)/t8-,9+/m1/s1 |
| InChIKey | XWZLNPUWNUTPAU-BDAKNGLRSA-N |
| SMILES | O=C1N[C@@H]2[C@@H](Cc3ccccc23)O1 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |