98534-84-0
| Name | 1-(4-METHYLPHENYL)-5-(TRIFLUOROMETHYL)-& |
| CAS | 98534-84-0 |
| Molecular Formula | C12H9F3N2O2 |
| MDL Number | MFCD06798084 |
| Molecular Weight | 270.21 |
| MOL File | 98534-84-0.mol |
Chemical Properties
| Melting point | 151-155 °C(lit.) |
| Boiling point | 377.8±42.0 °C(Predicted) |
| density | 1.40±0.1 g/cm3(Predicted) |
| form | solid |
| pka | 2.80±0.36(Predicted) |
| InChI | 1S/C12H9F3N2O2/c1-7-2-4-8(5-3-7)17-10(12(13,14)15)9(6-16-17)11(18)19/h2-6H,1H3,(H,18,19) |
| InChIKey | QMBUSCJEARRTEH-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)-n2ncc(C(O)=O)c2C(F)(F)F |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |