HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4,6-Trifluorobenzyl alcohol
RARECHEM AL BD 0315 · 2,4,6-Trifluorbenzyl alcohol · 2,4,6-Trifluorobenzyl alcohol · 2,4,6-Trifluorobenzyl alkohol · 2,4,6-Trifluoro-benzenemethanol · (2,4,6-trifluorophenyl)methanol · 2,4,6-Trifluorobenzylalcohol97% · 2,4,6-Trifluorobenzyl alcohol 97%
Identifiers & Physical Properties
| CAS No. | 118289-07-9 |
|---|---|
| Molecular formula | C7H5F3O |
| Average molar mass | 162.11 g/mol |
| Monoisotopic mass | 162.02924944 g/mol |
| SMILES | OCc1c(F)cc(F)cc1F |
| InChIKey | YJQDVBPZXNALEE-UHFFFAOYSA-N |
| PubChem CID | 2777037 |
| EC No. | 642-862-6 |
| DTXSID | DTXSID30380342 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 119 |
| Boiling point | 179.5±35.0℃ (760 Torr) |
| Density | 1.398±0.06 g/cm3 (20 ºC 760 Torr) |
| Flash point | 77.5±20.4℃ |
| Storage conditions | 2-8°C |
| Physical state | crystals |
| pKa (acidity coefficient) | 13.34±0.10(Predicted) |
| Color | Light beige/light brown |
| CAS DataBase Reference | 118289-07-9(CAS DataBase Reference) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Hazard class | IRRITANT |
| Customs code | 2906290090 |
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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Customs code | 2906290090 |
| 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 | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
2,4,6-Trifluorobenzyl alcohol is an organic intermediate that can be prepared in two steps from 1,3,5-trifluorobenzene. Literature reports its use in the preparation of pesticides such as imidacloprid and acetamiprid, and the pharmaceutical intermediate 2,4,6-trifluorobenzylamine.