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| IUPAC Name: | 3-cyanobenzoyl chloride |
| Description: | 3-Cyanobenzoyl chloride (CAS# 1711-11-1) is a reagent used in the preparation of 4-([1,2,4]Triazolo[1,5-a]pyridin-6-yl)-5(3)-(6-methylpyridin-2-yl)imidazole and -pyrazole derivative as a potent and selective inhibitors of transforming growth factor-β type I receptor kinase. |
| Molecular Weight: | 165.58 |
| Molecular Formula: | C8H4ClNO |
| Canonical SMILES: | C1=CC(=CC(=C1)C(=O)Cl)C#N |
| InChI: | InChI=1S/C8H4ClNO/c9-8(11)7-3-1-2-6(4-7)5-10/h1-4H |
| InChI Key: | RPESZQVUWMFBEO-UHFFFAOYSA-N |
| Boiling Point: | 125-129 °C (11 torr) |
| Melting Point: | 38-44 °C |
| Purity: | 98 % |
| Density: | 1.32 g/cm3 |
| Appearance: | White to pale yellow crystalline mass or light |
| MDL: | MFCD00011545 |
| LogP: | 1.93728 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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