4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile
4,5-dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile
Also Known As: 4,5-Dichloro-3,6-dihydroxy-phthalonitrile|Dutasteride Impurity 21|Finasteride Impurity 8|Brexpiprazole Impurity A|4,5-Dichloro-3,6-dihydroxyphthalonitrile|4,5-dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile|2,3-dichloro-5,6-dicyanohydroquinone|QNDGAROPZNKYNK-UHFFFAOYSA-|2,3-Dicyano-1,4-dihydroxybenzene|2,3-Dicyano-5,6-dichlorohydroquinone|2,3-dichloro-5,6-dicyano-hydroquinone|2,3-dichloro-5,6-dicyano-1,4-hydroquinone|4,5-Dichloro-3,6-dihydroxy-1,2-benzenedicarbonitrile|2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene|4,5-dichloro-3,6-dihydroxyphthalonitrile? (Brexpiprazole Impurity pound(c)|2,3-Dicyano-5,6-dichlorohydroquinone; 1,2-Benzenedicarbonitrile, 4,5-dichloro-3,6-dihydroxy-; Phthalonitrile, 4,5-dichloro-3,6-dihydroxy- (6CI,7CI,8CI); 4,5-Dichloro-3,6-dihydroxy-1,2-benzenedicarbonitrile; 2,3-Dichloro-5,6-dicyano-1,4-benzoquinol; 2,3-Dichloro-5,6-dicyano-1,4-dihydroxybenzen|610-300-9
| Molecular Formula | C8H2Cl2N2O2 |
|---|---|
| Molecular Weight | 227.94933 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.94933 |
| Monoisotopic Mass | 227.94933 |
| Heavy Atoms | 14 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 4640-41-9 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1O)Cl)Cl)O)C#N |
| InChIKey | QNDGAROPZNKYNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile (CAS 4640-41-9), with molecular formula C8H2Cl2N2O2 and molecular weight 227.94933 g/mol. IUPAC: 4,5-dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile.