7659-29-2
| Name | 3,5-DINITROCATECHOL |
| CAS | 7659-29-2 |
| Molecular Formula | C6H4N2O6 |
| MDL Number | MFCD00069263 |
| Molecular Weight | 200.11 |
| MOL File | 7659-29-2.mol |
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 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H335-H302-H319 |
| Precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
| WGK Germany | 3 |
| RTECS | CZ8947010 |
| Storage Class | 11 - Combustible Solids |