| Identification | Back Directory | [Name]
3,4-Dihydroxy-5-Nitrobenzoic Acid | [CAS]
84211-30-3 | [Synonyms]
Entacapone Impurity 26
Entacapone Impurity 10
Entacapone Benzoic Acid Impurity
3,4-Dihydroxy-5-Nitrobenzoic Acid
Benzoic acid, 3,4-dihydroxy-5-nitro- | [Molecular Formula]
C7H5NO6 | [MDL Number]
MFCD00872080 | [MOL File]
84211-30-3.mol | [Molecular Weight]
199.12 |
| Chemical Properties | Back Directory | [Melting point ]
>222oC (dec.) | [Boiling point ]
411.1±45.0 °C(Predicted) | [density ]
1.799±0.06 g/cm3(Predicted) | [storage temp. ]
Hygroscopic, -20°C Freezer, Under inert atmosphere | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
3.82±0.10(Predicted) | [color ]
Yellow to Beige | [InChI]
InChI=1S/C7H5NO6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12) | [InChIKey]
HDPSONAKHMNQPA-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC([N+]([O-])=O)=C(O)C(O)=C1 |
| Questions And Answer | Back Directory | [Uses]
3,4-Dihydroxy-5-nitrobenzoic Acid is a useful synthetic intermediate in the synthesis of Entacapone; a peripherally selective inhibitor of catechol-O-methyltransferase (COMT). Also an antiparkinsonian. |
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