3-(Trifluoromethyl)cinnamic acid
- Product Name3-(Trifluoromethyl)cinnamic acid
- CAS779-89-5
- MFC10H7F3O2
- MW216.16
- EINECS212-301-6
- MOL File779-89-5.mol
Chemical Properties
| Melting point | 135-137 °C(lit.) |
| Boiling point | 224°C (rough estimate) |
| Density | 1.3275 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.25±0.10(Predicted) |
| color | White to Off-White |
| BRN | 1963372 |
| InChI | InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15) |
| InChIKey | KSBWHDDGWSYETA-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C=CC1=CC=CC(C(F)(F)F)=C1 |
| CAS DataBase Reference | 779-89-5(CAS DataBase Reference) |
| EPA Substance Registry System | 3-[3-(Trifluoromethyl)phenyl]acrylic acid (779-89-5) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38-37/38 |
| Safety Statements | 26-37/39-37 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
