3,5-DINITROCATECHOL
- Product Name3,5-DINITROCATECHOL
- CAS7659-29-2
- CBNumberCB3762374
- MFC6H4N2O6
- MW200.11
- MDL NumberMFCD00069263
- MOL File7659-29-2.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 166-166.5℃ |
| Boiling point | 354.5±42.0 °C(Predicted) |
| Density | 1.819±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | H2O: 0.17 mg/mL Solutions may be stored for several days at 4 °C., slightly soluble |
| form | solid |
| pka | 3.85±0.44(Predicted) |
| color | yellow |
| biological source | synthetic (organic) |
| Water Solubility | H2O: slightly soluble 0.17mg/mL 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 2.8mg/mL 0.1 M HCl: slightly soluble DMSO: soluble aqueous buffer pH > 5: soluble ethanol: soluble |
| InChI | 1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H |
| InChIKey | VDCDWNDTNSWDFJ-UHFFFAOYSA-N |
| SMILES | Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O |
| FDA UNII | VK0VA22GY2 |
| UNSPSC Code | 12352202 |
| NACRES | NA.77 |
