cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate
- Product Namecis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate
- CAS134071-44-6
- CBNumberCB2855192
- MFC21H20Cl2N2O5S
- MW483.36
- EINECS603-791-6
- MDL NumberMFCD07367827
- MOL File134071-44-6.mol
Chemical Properties
| Melting point | 120-122°C |
| Boiling point | 665.7±55.0 °C(Predicted) |
| Density | 1.44±0.1 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 6.88±0.12(Predicted) |
| form | Solid |
| color | White to Off-White |
| InChI | InChI=1/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3/t17-,21-/s3 |
| InChIKey | WAXNIYHZFWRPGS-NTMXNBFVNA-N |
| SMILES | [C@@]1(OC[C@@H](COS(=O)(=O)C2C=CC(C)=CC=2)O1)(CN1C=NC=C1)C1=CC=C(Cl)C=C1Cl |&1:0,3,r| |
| CAS DataBase Reference | 134071-44-6(CAS DataBase Reference) |
| FDA UNII | 644X337Z6T |