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| Related CAS: | 1243346-92-0 (monohydrochloride) |
| IUPAC Name: | 4-chloro-7H-pyrrolo[2,3-d]pyrimidine |
| Description: | One of the impurities of Tofacitinib, which is a Janus kinase inhibitor and could be used against rheumatoid arthritis. |
| Molecular Weight: | 153.57 |
| Molecular Formula: | C6H4ClN3 |
| Canonical SMILES: | C1=CNC2=C1C(=NC=N2)Cl |
| InChI: | InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10) |
| InChI Key: | BPTCCCTWWAUJRK-UHFFFAOYSA-N |
| Boiling Point: | 289.2±50.0°C (Predicted) |
| Melting Point: | 188-194°C |
| Purity: | ≥98% by HPLC |
| Density: | 1.61±0.1 g/cm3 (Predicted) |
| Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
| Appearance: | Yellow to Dark Brown Solid |
| Storage: | Store at -20°C |
| MDL: | MFCD01686865 |
| LogP: | 1.61130 |
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