3,5-Dinitrocatechol
SIGMA/D131 - solid
Synonym: 3,5-
CAS Number: 7659-29-2
Empirical Formula (Hill Notation): C6H4N2O6
Molecular Weight: 200.11
MDL Number: MFCD00069263
Linear Formula: C6H4N2O6
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: D131-50MG.
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: D131-250MG
| assay | ≥98% (HPLC) |
| biological source | synthetic (organic) |
| color | yellow |
| form | solid |
| InChI | 1S/C6H4N2O6/c9-5-2-3(7(11 |
| InChI key | VDCDWNDTNSWDFJ-UHFFFAOYSA |
| mp | 168-170 °C |
| Quality Level | 200  |
| SMILES string | Oc1cc(cc(c1O)[N+]([O-])=O |
| solubility | 0.1 M HCl: slightly soluble |
| 45% (w/v) aq 2-hydroxypropyl-β-cyclode |
|
| aqueous buffer pH > 5: soluble | |
| DMSO: soluble | |
| ethanol: soluble | |
| H2O: slightly soluble 0.17 mg/mL | |
| storage temp. | 2-8°C |
| Analysis Note: | Solutions may be stored for several days at 4 °C. |
| Application: | 3,5-Dinitrocatechol (3,5-DNC) has been used in the preparation of the molybdenum (VI)-(3,5-DNC) complex. It has also been used as a catechol-O-methyltransferase (COMT) inhibitor and as a positive control for screening human COMT inhibition. |
| Application: | Chelating reagent used in a sensitive (μM) assay for vanadium. |
| Biochem/physiol Actions: | Selective inhibitor of catechol O-methyl transferase (COMT); penetrates the blood brain barrier and is useful both orally and parenteraly in experiments where inhibition of COMT in the central nervous system is required. |
| Disclaimer: | Photosensitive |
| Packaging: | 250 mg in poly bottle |
| Packaging: | 50 mg in glass insert |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | ≥98% (HPLC) |
| mp | 168-170 °C |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352202 |