167173-91-3
| Name | isochromophilone VI |
| CAS | 167173-91-3 |
| Molecular Formula | C23H28ClNO5 |
| MDL Number | MFCD24849300 |
| Molecular Weight | 433.93 |
| MOL File | 167173-91-3.mol |
Chemical Properties
| Boiling point | 543.5±50.0 °C(Predicted) |
| density | 1.24±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| form | solid |
| pka | 14.46±0.10(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C23H28ClNO5/c1-6-14(2)11-15(3)7-8-17-12-18-19(13-25(17)9-10-26)21(28)23(5,30-16(4)27)22(29)20(18)24/h7-8,11-14,26H,6,9-10H2,1-5H3/b8-7+,15-11+/t14-,23+/m0/s1 |
| InChIKey | ZQLIAKJHIRHCFA-XIIQHIPDSA-N |
| SMILES | CC[C@H](C)\C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO |
Safety Data
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |