HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,4,5-Trifluorobenzyl alcohol
RARECHEM AL BD 0343 · 3,4,5-TRIFLUOROBENZYL ALCOHOL · 3,4,5-Trifluorobenzoyl alcohol · (3,4,5-trifluorophenyl)Methanol · 3,4,5-TRIFLUORO BENZENEMETHANOL · Benzenemethanol, 3,4,5-trifluoro- · 3,4,5-Trifluorobenzyl alcohol 97% · Benzenemethanol, 3,4,5-trifluoro- (9CI)
Identifiers & Physical Properties
| CAS No. | 220227-37-2 |
|---|---|
| Molecular formula | C7H5F3O |
| Average molar mass | 162.11 g/mol |
| Monoisotopic mass | 162.02924944 g/mol |
| SMILES | OCc1cc(F)c(F)c(F)c1 |
| InChIKey | HRSFRSLKOPFWMZ-UHFFFAOYSA-N |
| PubChem CID | 2777040 |
| EC No. | 642-879-9 |
| DTXSID | DTXSID50380344 |
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 | 203-204 °C760 mm Hg(lit.) |
| Density | 1.385 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.4700(lit.) |
| Flash point | 210 °F |
| Storage conditions | Storage temp. 2-8°C |
| Physical state | fused solid |
| Color | White/colourless |
| Solubility | Soluble in water 100 g/L. |
| BRN | 8681069 |
| InChI | InChI=1S/C7H5F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2 |
| InChIKey | HRSFRSLKOPFWMZ-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC(F)=C(F)C(F)=C1 |
| CAS DataBase Reference | 220227-37-2(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 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANT |
| Customs code | 29062990 |
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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29062990 |
| 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
3,4,5-Trifluorobenzyl alcohol is used as chemical reagent.