HuagongsheHuagongshe Chemistry Print Report · For research reference only
p-Trifluoromethylpropiophenone
p-trifluoromethylpropiophenone · 4-(TRIFLUOROMETHYL)PROPIOPHENONE · 4'-(Trifluoromethyl)propiophenone · 4'-(Trifluoromethyl)propiophenone 97% · 4'-(Trifluoromethyl)propiophenone,97% · Ethyl 4-(trifluoromethyl)phenyl ketone · p-Trifluoromethylpropiophenone, min. 97% · 1-[4-(Trifluoromethyl)phenyl]-1-propanone
Identifiers & Physical Properties
| CAS No. | 711-33-1 |
|---|---|
| Molecular formula | C10H9F3O |
| Average molar mass | 202.17 g/mol |
| Monoisotopic mass | 202.06054957 g/mol |
| SMILES | CCC(=O)c1ccc(C(F)(F)F)cc1 |
| InChIKey | QFKOWENRSZZLPK-UHFFFAOYSA-N |
| PubChem CID | 136554 |
| EC No. | 626-720-0 |
| DTXSID | DTXSID40221318 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 202 |
| Melting point | 36-39 °C(lit.) |
| Boiling point | 216 °C(lit.) |
| Density | 1,973 g/cm3 |
| Flash point | 210 °F |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | fused solid |
| Color | White/colourless |
| BRN | 1874014 |
| InChI | 1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3 |
| InChIKey | QFKOWENRSZZLPK-UHFFFAOYSA-N |
| SMILES | CCC(=O)c1ccc(cc1)C(F)(F)F |
| CAS DataBase Reference | 711-33-1(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29147000 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29147000 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
4-(Trifluoromethyl)propiophenone is used as a reagent in the preparation of ketones and alcohols in organic synthesis. It is also used as a starting material for the synthesis of various compounds such as 4-(trifluoromethyl)phenylacetic acid, which is used as a building block in the synthesis of pharmaceuticals.