117796-52-8
| Name | Sch 37370 |
| CAS | 117796-52-8 |
| Molecular Formula | C21H21ClN2O |
| MDL Number | MFCD00873685 |
| Molecular Weight | 352.86 |
| MOL File | 117796-52-8.mol |
Chemical Properties
| Melting point | 155-157 °C |
| Boiling point | 546.9±50.0 °C(Predicted) |
| density | 1.257±0.06 g/cm3(Predicted) |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| form | Solid |
| pka | 4.16±0.20(Predicted) |
| color | Off-White to Pale Pink |
| Major Application | pharmaceutical small molecule |
| InChI | InChI=1S/C21H21ClN2O/c1-14(25)24-11-8-15(9-12-24)20-19-7-6-18(22)13-17(19)5-4-16-3-2-10-23-21(16)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3 |
| InChIKey | FLTBEMVEAFMWDD-UHFFFAOYSA-N |
| SMILES | C(=O)(N1CC/C(=C2\C3=NC=CC=C3CCC3=CC(Cl)=CC=C3\2)/CC1)C |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H319-H302-H315-H335 |
| Precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 2 Eye Dam. 1 |