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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)
Identifikatoren & physikalische Daten
| CAS No. | 220227-37-2 |
|---|---|
| Summenformel | C7H5F3O |
| Durchschnittliche Molmasse | 162,11 g/mol |
| Monoisotopische Masse | 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 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 119 |
| Siedepunkt | 203-204 °C760 mm Hg(lit.) |
| Dichte | 1.385 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4700(lit.) |
| Flammpunkt | 210 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | fused solid |
| Farbe | White/colourless |
| Löslichkeit | 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 Datenbank | 220227-37-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
3,4,5-Trifluorobenzyl alcohol is used as chemical reagent.