80508-23-2
| Name | rac N'-Nitrosonornicotine |
| CAS | 80508-23-2 |
| Molecular Formula | C9H11N3O |
| MDL Number | MFCD00274581 |
| Molecular Weight | 177.206 |
| MOL File | 80508-23-2.mol |
Chemical Properties
| Appearance | Light Yellow Solid |
| Melting point | 43-45°C |
| Boiling point | 369.5±35.0 °C(Predicted) |
| density | 1.28±0.1 g/cm3(Predicted) |
| Fp | 9℃ |
| storage temp. | -20°C Freezer |
| solubility | Chloroform: slightly soluble,Methanol: slightly soluble |
| form | neat |
| pka | 5.16±0.12(Predicted) |
| Major Application | forensics and toxicology |
| InChI | 1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2 |
| InChIKey | XKABJYQDMJTNGQ-UHFFFAOYSA-N |
| SMILES | O=NN1CCCC1c2cccnc2 |
Safety Data
| Symbol(GHS) |   GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301-H351 |
| Precautionary statements | P201-P301+P310+P330 |
| Hazard Codes | F,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN2811 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29333990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |