100858-32-0
| Name | (S)-1-CBZ-3-PYRROLIDINOL 95 |
| CAS | 100858-32-0 |
| Molecular Formula | C12H15NO3 |
| MDL Number | MFCD07784363 |
| Molecular Weight | 221.252 |
| MOL File | 100858-32-0.mol |
Chemical Properties
| Melting point | 71-77 °C |
| Boiling point | 370.7±42.0 °C(Predicted) |
| density | 1.263±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | solid |
| pka | 14.72±0.20(Predicted) |
| Appearance | White to off-white Solid |
| Optical Rotation | [α]20/D +21°, c = 1 in chloroform |
| InChI | InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m0/s1 |
| InChIKey | MBLJFGOKYTZKMH-NSHDSACASA-N |
| SMILES | N1(C(OCC2=CC=CC=C2)=O)CC[C@H](O)C1 |
Safety Data
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HazardClass | 6.1 |
| HS Code | 29339900 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
