4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one
- Product Name4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one
- CAS15646-46-5
- MFC12H11NO3
- MW217.22
- EINECS239-713-9
- MOL File15646-46-5.mol
Chemical Properties
| Melting point | 94-96 °C (dec.)(lit.) |
| Boiling point | 357.77°C (rough estimate) |
| Density | 1.2160 (rough estimate) |
| refractive index | 1.5560 (estimate) |
| storage temp. | 2-8°C |
| pka | -2.59±0.20(Predicted) |
| form | Solid |
| color | Gray to brown |
| Water Solubility | Soluble in methanol (50 mg/ml), and water (partly). |
| BRN | 163055 |
| Major Application | forensics and toxicology pharmaceutical (small molecule) veterinary |
| InChI | InChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3 |
| InChIKey | SJHPCNCNNSSLPL-UHFFFAOYSA-N |
| SMILES | O1C(=O)C(=COCC)N=C1C1=CC=CC=C1 |
| CAS DataBase Reference | 15646-46-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 43 |
| Safety Statements | 36 |
| WGK Germany | 3 |
| RTECS | RQ5786250 |
| HazardClass | IRRITANT |
| HS Code | 29349990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Skin Sens. 1 |
| Toxicity | mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06780, |