(S)-BnCH2-PyBox, (S,S)-2,6-Bis(4-benzylmethyl-2-oxazolin-2-yl)pyridine
- Product Name(S)-BnCH2-PyBox, (S,S)-2,6-Bis(4-benzylmethyl-2-oxazolin-2-yl)pyridine
- CAS1012042-02-2
- CBNumberCB02100120
- MFC27H27N3O2
- MW425.52
- MDL NumberMFCD11656173
- MOL File1012042-02-2.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 154-158 °C |
| Boiling point | 621.9±40.0 °C(Predicted) |
| Density | 1.21±0.1 g/cm3(Predicted) |
| pka | 3.72±0.70(Predicted) |
| form | powder |
| optical activity | [α]22/D 75, c = 1 in chloroform |
| InChI | 1S/C27H27N3O2/c1-3-8-20(9-4-1)14-16-22-18-31-26(28-22)24-12-7-13-25(30-24)27-29-23(19-32-27)17-15-21-10-5-2-6-11-21/h1-13,22-23H,14-19H2/t22-,23-/m0/s1 |
| InChIKey | IYRZZMJRGHERQU-GOTSBHOMSA-N |
| SMILES | C(Cc1ccccc1)[C@H]2COC(=N2)c3cccc(n3)C4=N[C@@H](CCc5ccccc5)CO4 |
| UNSPSC Code | 12352005 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |