69727-07-7
| Name | NSC 2479 |
| CAS | 69727-07-7 |
| Molecular Formula | C10H6ClNO2 |
| MDL Number | MFCD02317172 |
| Molecular Weight | 207.61 |
| MOL File | 69727-07-7.mol |
Chemical Properties
| Melting point | 189-191.5 °C |
| Boiling point | 377.0±32.0 °C(Predicted) |
| density | 1.415±0.06 g/cm3(Predicted) |
| solubility | methanol: soluble100mg/10 mL, clear, colorless to light yellow |
| form | solid |
| pka | 0.55±0.10(Predicted) |
| BRN | 2616773 |
| InChI | 1S/C10H6ClNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+ |
| InChIKey | MXCRRKYUQNHWLJ-VMPITWQZSA-N |
| SMILES | OC(=O)\C(=C\c1ccc(Cl)cc1)C#N |
Safety Data
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3439 6.1 / PGIII |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Acute Tox. 4 Dermal Acute Tox. 4 Inhalation |