20007-85-6
| Name | cyclopenol |
| CAS | 20007-85-6 |
| Molecular Formula | C17H14N2O4 |
| MDL Number | MFCD24849291 |
| Molecular Weight | 310.3 |
| MOL File | 20007-85-6.mol |
Chemical Properties
| Melting point | 215℃ (decomposition) |
| Boiling point | 633.2±55.0 °C(Predicted) |
| density | 1.50±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | DMSO: soluble; Ethanol: soluble; Methanol: soluble |
| form | A solid |
| pka | 9.62±0.10(Predicted) |
| color | Off-white |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C17H14N2O4/c1-19-15(21)12-7-2-3-8-13(12)18-16(22)17(19)14(23-17)10-5-4-6-11(20)9-10/h2-9,14,20H,1H3,(H,18,22)/t14-,17+/m1/s1 |
| InChIKey | BDDNYDPRCCDQQJ-PBHICJAKSA-N |
| SMILES | N1([C@@]3(O[C@@H]3c4cc(ccc4)O)C(=O)Nc2c(cccc2)C1=O)C |
Safety Data
| Hazard Codes | Xn,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 |