Niflumic acid
- Product NameNiflumic acid
- CAS4394-00-7
- MFC13H9F3N2O2
- MW282.22
- EINECS224-516-2
- MOL File4394-00-7.mol
Chemical Properties
| Melting point | 203-204 °C |
| Boiling point | 378.0±42.0 °C(Predicted) |
| Density | 1.3935 (estimate) |
| storage temp. | 2-8°C |
| solubility | Soluble in ethanol (~50 mg/ml), acetone (50 mg/ml, Clear to Slightly Hazy, Yellow), methanol (~50 mg/ml), DMSO (56 mg/ml at 25°C), and acetonitrile (~50 mg/ml). |
| pka | pKa 2.26 ± 0.08;4.44± 0.03(H2O,t =25±0.1,I=0.01(NaCl))(Approximate) |
| form | Solid |
| color | Light orange to Yellow to Green |
| biological source | synthetic (organic) |
| Water Solubility | 19mg/L(room temperature) |
| Sensitive | Light Sensitive |
| Merck | 14,6531 |
| Stability | Stable, but may discolour in light. Incompatible with strong oxidizing agents. Hygroscopic. |
| InChI | 1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20) |
| InChIKey | JZFPYUNJRRFVQU-UHFFFAOYSA-N |
| SMILES | O=C(O)C1=CC=CN=C1NC2=CC(C(F)(F)F)=CC=C2 |
| NIST Chemistry Reference | Niflumic acid(4394-00-7) |
| EPA Substance Registry System | 3-Pyridinecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]- (4394-00-7) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36-36/37/39 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | QT2999100 |
| HazardClass | 6.1 |
| PackingGroup | Ⅲ |
| HS Code | 29333999 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Chronic 4 |
| Toxicity | LD50 in rats (mg/kg): 370 orally; 155 i.p. (Sorenson) |
