3-Anilinocyclohex-2-en-1-one
- Product Name3-Anilinocyclohex-2-en-1-one
- CAS24706-50-1
- MFC12H13NO
- MW187.24
- EINECS
- MOL File24706-50-1.mol
Chemical Properties
| Melting point | 178-182 °C |
| Boiling point | 324.9±42.0 °C(Predicted) |
| Density | 1.176±0.06 g/cm3(Predicted) |
| pka | 0.38±0.20(Predicted) |
| form | solid |
| BRN | 2103381 |
| InChI | 1S/C12H13NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-3,5-6,9,13H,4,7-8H2 |
| InChIKey | IVONJXTZXFTWNA-UHFFFAOYSA-N |
| SMILES | O=C1C=C(CCC1)NC2=CC=CC=C2 |
| CAS DataBase Reference | 24706-50-1(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25 |
| WGK Germany | WGK 3 |
| RTECS | GW7600000 |
| Hazard Note | Irritant |
| HS Code | 29214200 |
| Storage Class | 11 - Combustible Solids |
| Toxicity | mouse,LDLo,intraperitoneal,600mg/kg (600mg/kg),Japanese Kokai Tokyo Koho Patents. Vol. #92-282314, |
