79200-56-9
| Name | ((1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one |
| CAS | 79200-56-9 |
| EINECS(EC#) | 418-530-1 |
| Molecular Formula | C6H7NO |
| MDL Number | MFCD00211274 |
| Molecular Weight | 109.13 |
| MOL File | 79200-56-9.mol |
Chemical Properties
| Appearance | OFF-WHITE TO BEIGE CRYSTALS OR CRYSTALLINE POWDER |
| Melting point | 94-97 °C(lit.) |
| Boiling point | 319.3±0.0 °C(Predicted) |
| density | 1.198±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly) |
| form | Crystals or Crystalline Powder |
| pka | 15.48±0.20(Predicted) |
| color | Off-white to beige |
| Optical Rotation | [α]20/D 565°, c = 1 in chloroform |
| BRN | 4230721 |
| InChI | InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m1/s1 |
| InChIKey | DDUFYKNOXPZZIW-UHNVWZDZSA-N |
| SMILES | [C@@]12([H])C[C@@]([H])(C=C1)C(=O)N2 |
| CAS DataBase Reference | 79200-56-9 |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302-H317-H318 |
| Precautionary statements | P280-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 1 |
| REACH Registrations | Active |
| HS Code | 29337900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Sens. 1 |