HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(2,3,5-trifluorophenyl)prop-2-enoic Acid
RARECHEM BK HW 0065 · 2,3,5-Trifluorocinnamic acid · 2,3,5-Trifluorocinnamicacid98% · 2,3,5-TRIFLUOROCINNAMIC ACID USP/EP/BP · 3-(2,3,5-TRIFLUORO-PHENYL)-ACRYLIC ACID · (E)-3-(2,3,5-trifluorophenyl)acrylic acid · 3-(2,3,5-Trifluorophenyl)-2-propenoic acid · (E)-3-(2,3,5-trifluorophenyl)prop-2-enoicaci
Identifiers & Physical Properties
| CAS No. | 237761-79-4 |
|---|---|
| Molecular formula | C9H5F3O2 |
| Average molar mass | 202.13 g/mol |
| Monoisotopic mass | 202.02416388 g/mol |
| SMILES | O=C(O)C=Cc1cc(F)cc(F)c1F |
| InChIKey | FHDPERUKPYYNEO-UHFFFAOYSA-N |
| PubChem CID | 2777093 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 242 |
| Boiling point | 271.0±35.0 °C(Predicted) |
| Density | 1.468±0.06 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,Room Temperature |
| pKa (acidity coefficient) | 4.01±0.11(Predicted) |
| CAS DataBase Reference | 237761-79-4(CAS DataBase Reference) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Hazard class | IRRITANT |
| Customs code | 2916399090 |
Safety & Regulations
| Customs code | 2916399090 |
|---|---|
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Hazard class | IRRITANT |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |