3-(Trifluoromethyl)-1h-pyrazole-4-carboxylic acid
- Product Name3-(Trifluoromethyl)-1h-pyrazole-4-carboxylic acid
- CAS543739-84-0
- MFC5H3F3N2O2
- MW180.08
- EINECS
- MOL File543739-84-0.mol
Chemical Properties
| Melting point | 248-253°C |
| Boiling point | 349.9±42.0 °C(Predicted) |
| Density | 1.682±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 2.86±0.36(Predicted) |
| form | solid |
| color | Pale yellow |
| InChI | 1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12) |
| InChIKey | VHKMTORCXXPIFI-UHFFFAOYSA-N |
| SMILES | OC(=O)c1c[nH]nc1C(F)(F)F |
Safety Information
| Hazard Codes | T |
| Risk Statements | 25 |
| Safety Statements | 45 |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| HS Code | 2933199090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |