HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,5,6-Trichloronicotinonitrile
2,5,6-Trichloronicotinonitrile · 2,3,6-TRICHLORO-5-CYANOPYRIDINE · 2,5,6-Trichloro-3-pyridinecarbonitrile · 2,5,6-trichloropyridine-3-carbonitrile · 3-Pyridinecarbonitrile, 2,5,6-trichloro- · 2,5,6-Trichloro-3-pyridinecarbonitrile ISO 9001：2015 REACH
Identifiers & Physical Properties
| CAS No. | 40381-92-8 |
|---|---|
| Molecular formula | C6HCl3N2 |
| Average molar mass | 207.4 g/mol |
| Monoisotopic mass | 205.920531 g/mol |
| SMILES | N#Cc1cc(Cl)c(Cl)nc1Cl |
| InChIKey | FXYJHWZGUONOAL-UHFFFAOYSA-N |
| PubChem CID | 22906339 |
| DTXSID | DTXSID80628842 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 36.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 188 |
| Boiling point | 285.6±35.0 °C(Predicted) |
| Density | 1.63 |
| Storage conditions | Inert atmosphere,Room Temperature |
| pKa (acidity coefficient) | -7.49±0.10(Predicted) |
| Appearance | White to yellow Solid |
| InChI | InChI=1S/C6HCl3N2/c7-4-1-3(2-10)5(8)11-6(4)9/h1H |
| InChIKey | FXYJHWZGUONOAL-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC(Cl)=C(Cl)C=C1C#N |