HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4,5-Trifluorobenzyl Alcohol
(2,4,5-TRIFLUORO-PHENYL)-METHANOL · CAS:144284-25-3 · RARECHEM AL BD 0314 · 2,4,5-tifluorobenzenecarbinol · 2,4,5-TRIFLUOROBENZYL ALCOHOL · 2,4,5-TrifluorobenzeneMethanol · (2,4,5-Trifluorphenyl)methanol · 2,4,5-Trifluorobenzyl alcohole
Identifiers & Physical Properties
| CAS No. | 144284-25-3 |
|---|---|
| Molecular formula | C7H5F3O |
| Average molar mass | 162.11 g/mol |
| Monoisotopic mass | 162.02924944 g/mol |
| SMILES | OCc1cc(F)c(F)cc1F |
| InChIKey | NRXZCCOHXZFHBV-UHFFFAOYSA-N |
| PubChem CID | 2777035 |
| EC No. | 642-585-0 |
| DTXSID | DTXSID10380340 |
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 | 131 |
| Melting point | 24 °C |
| Boiling point | 201-204 °C (lit.) |
| Density | 1.4 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.472(lit.) |
| Flash point | 230 °F |
| Storage conditions | 2-8°C |
| pKa (acidity coefficient) | 13.17±0.10(Predicted) |
| Physical state | liquid |
| Color | Clear colourless |
| InChI | 1S/C7H5F3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2,11H,3H2 |
| InChIKey | NRXZCCOHXZFHBV-UHFFFAOYSA-N |
| SMILES | OCc1cc(F)c(F)cc1F |
| CAS DataBase Reference | 144284-25-3(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38-36/38 |
| Safety statements (S) | 26-36/37/39-37 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANT |
| Customs code | 29062990 |
| 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 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%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29062990 |
| Risk statements (R) | 36/37/38-36/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37/39-37 |
| Hazard class | IRRITANT |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313 |
Applications & Uses
Uses
2,4,5-Trifluorobenzyl alcohol is an aryl fluorinated building block. It is also referred to as (2,4,5-trifluorophenyl)methanol [IUPAC name].
General Description
2,4,5-Trifluorobenzyl alcohol is an aryl fluorinated building block. It is also referred to as (2,4,5-trifluorophenyl)methanol [IUPAC name].