157047-98-8
| Name | benzomalvin C |
| CAS | 157047-98-8 |
| Molecular Formula | C24H17N3O3 |
| MDL Number | MFCD24849298 |
| Molecular Weight | 395.41 |
| MOL File | 157047-98-8.mol |
Chemical Properties
| Boiling point | 646.2±65.0 °C(Predicted) |
| density | 1.41±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble |
| form | A solid |
| pka | -0.93±0.40(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C24H17N3O3/c1-26-21(28)17-12-6-8-14-19(17)27-22(29)16-11-5-7-13-18(16)25-23(27)24(26)20(30-24)15-9-3-2-4-10-15/h2-14,20H,1H3/t20-,24-/m0/s1 |
| InChIKey | TWDKBDSVUUKABK-RDPSFJRHSA-N |
| SMILES | CN1C(=O)c2ccccc2N3C(=O)c4ccccc4N=C3[C@]15O[C@H]5c6ccccc6 |
Safety Data
| Symbol(GHS) |   GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H301-H410 |
| Precautionary statements | P273-P301+P310-P501 |
| Hazard Codes | T,N |
| 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 Aquatic Acute 1 Aquatic Chronic 1 |