| Melting point |
40-44 °C(lit.) |
| Boiling point |
96-98 °C8 mm Hg(lit.) |
| Density |
1.4373 (estimate) |
| Flash point |
233 °F |
| storage temp. |
2-8°C |
| solubility |
sparingly soluble in water, readily soluble in organic solvents. Distribution ratio between acidic water and benzene is about 40. In alkaline aqueous medium it exists in the enolate form, this being relatively more soluble in water. The equilibrium distribution ratio between benzene and alkaline aqueous medium (about pH 8) is about 1. In alkaline aqueous medium of pH > 9 TTA decomposes to trifluoroacetone and acetylthiophen. |
| pka |
5.60±0.23(Predicted) |
| form |
Crystalline Powder, Crystals and/or Chunks |
| color |
Light yellow or beige to brown |
| Odor |
Odorless |
| Water Solubility |
INSOLUBLE |
| BRN |
168645 |
| Stability |
Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month. |
| InChI |
1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2 |
| InChIKey |
TXBBUSUXYMIVOS-UHFFFAOYSA-N |
| SMILES |
FC(F)(F)C(=O)CC(=O)c1cccs1 |
| CAS DataBase Reference |
326-91-0(CAS DataBase Reference) |
| NIST Chemistry Reference |
1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-(326-91-0) |
| EPA Substance Registry System |
1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)- (326-91-0) |
