| Identification | Back Directory | [Name]
3,5-DINITROCATECHOL | [CAS]
7659-29-2 | [Synonyms]
OR-486
Ro-01-2812
3,5-Dinitroactechol
3,5-DINITROCATECHOL
Entacapone impurity E
3,5-dinitropyrocatechol
3,5-dinitro-2-benzenediol
3,5-DINITRO-1,2-BENZENEDIOL
3,5-dinitrobenzene-1,2-diol
1,2-Dihydroxy-3,5-dinitrobenzene
1,2-Benzenediol, 3,5-dinitro- (9CI)
3,5-Dinitro-1,2-benzenediol, OR-486
Imp. E (EP):3,5-Dinitrobenzene-1,2-diol
Entacapone Impurity 5（Entacapone EP Impurity E）
Entacapone Impurity 5（Entacapone EP Impurity A）
Entacapone Impurity 21(Entacapone EP Impurity E)
3,5-DINITROCATECHOL (OR-486) (SELECTIVE INHIBITOR OF CATECHOL | [Molecular Formula]
C6H4N2O6 | [MDL Number]
MFCD00069263 | [MOL File]
7659-29-2.mol | [Molecular Weight]
200.11 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [Uses]
OR 486 is an anti-inflammatory agent used in the treatment of rheumatoid arthritis and osteoarthritis. Entacapone (E588500) impurity. | [Biological Activity]
Potent and selective inhibitor of catechol-O-methyl-transferase. | [storage]
Store at RT |
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BOC Sciences
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www.bocsci.com |
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