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| IUPAC Name: | benzene-1,2-dicarbonitrile |
| Description: | 1,2-Dicyanobenzene (CAS# 91-15-6) is an impurity of Palbociclib (also known as compound number PD-0332991) (P139900), which is an experimental drug for the treatment of breast cancer being developed by Pfizer. It is a selective inhibitor of the cyclin-dependent kinases CDK4 and CDK6. 2-Aminoethyl-amino Palbociclib can be used to prepare drugs for treating bacterial infections and breast cancer. |
| Molecular Weight: | 128.13 |
| Molecular Formula: | C8H4N2 |
| Canonical SMILES: | C1=CC=C(C(=C1)C#N)C#N |
| InChI: | InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H |
| InChI Key: | XQZYPMVTSDWCCE-UHFFFAOYSA-N |
| Boiling Point: | 304.6 °C at 760 mmHg |
| Melting Point: | 138 °C |
| Flash Point: | 162 °C |
| Density: | 1.24 g/cm3 |
| Appearance: | Needles from water or petroleum ether |
| Decomposition: | When heated to decomposition it emits toxic fumes of cn- and nox /cyanides and nitrogen oxides |
| MDL: | MFCD00001771 |
| LogP: | 1.42996 |
| Vapor Pressure: | 0.00569 [mmHg] |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
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