20595-30-6
| Name | 3-Fluorocinnamic acid |
| CAS | 20595-30-6 |
| EINECS(EC#) | 243-902-1 |
| Molecular Formula | C9H7FO2 |
| MDL Number | MFCD00004383 |
| Molecular Weight | 166.15 |
| MOL File | 20595-30-6.mol |
Chemical Properties
| Appearance | white amorphous powder |
| Melting point | 162-164 °C(lit.) |
| Boiling point | 290°C (rough estimate) |
| density | 1.2247 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 4.29±0.10(Predicted) |
| BRN | 1365172 |
| InChI | 1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+ |
| InChIKey | RTSIUKMGSDOSTI-SNAWJCMRSA-N |
| SMILES | OC(=O)\C=C\c1cccc(F)c1 |
| CAS DataBase Reference | 20595-30-6(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xi,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |