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2,2,3,3,3-Pentafluorpropanol
PFPOH · 2,2,3,3,3-PENTAFLUOROPROPAN-1-OL · 2,2,3,3,3-PENTAFLUORO-1-PROPANOL · PENTAFLUOROPROPANOL · C2F5CH2OH · 2,2,3,3,3-PENTAFLUOROPROPANOL · PENTAFLUORO-1-PROPANOL · 1,1H-perfluoropropanol
Identifikatoren & physikalische Daten
| CAS No. | 422-05-9 |
|---|---|
| Summenformel | C3H3F5O |
| Durchschnittliche Molmasse | 150,05 g/mol |
| Monoisotopische Masse | 150,01040582 g/mol |
| SMILES | OCC(F)(F)C(F)(F)F |
| InChIKey | PSQZJKGXDGNDFP-UHFFFAOYSA-N |
| PubChem CID | 9872 |
| ChEMBL | CHEMBL4457653 |
| EC No. | 207-012-7 |
| DTXSID | DTXSID4059966 |
| Lokaler Name | 2,2,3,3,3-Pentafluorpropanol |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| Stoffklassen | Other Classes -> Halogenated AlcoholsIonic Liquids -> Fluorinated Ionic Liquids |
| PFAS | PFAS -> F-telomer alcohols (FTOH)PFAS -> Other/unspecifiedPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Liquid[Alfa Aesar MSDS] |
| Siedepunkt | 80 °C748 mm Hg(lit.) |
| Dichte | 1.505 g/mL at 25 °C(lit.) |
| Dampfdruck | 62.055-324.857hPa at 24.93-54.78℃ |
| Brechungsindex | n20/D 1.288(lit.) |
| Flammpunkt | 80-81°C |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Powder, Crystals and/or Chunks |
| pKa (Säurekonstante) | 12.45±0.10(Predicted) |
| Wichte | 1.509 |
| Farbe | White to off-white to light yellow |
| Löslichkeit | Soluble in water.21.9 g/L at 25°C |
| BRN | 1743133 |
| Henry-Konstante | 1.4×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| InChI | 1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2 |
| InChIKey | PSQZJKGXDGNDFP-UHFFFAOYSA-N |
| SMILES | OCC(F)(F)C(F)(F)F |
| LogP (Verteilungskoeffizient) | 1.23 |
| CAS Datenbank | 422-05-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2,2,3,3,3-Pentafluoro-1-propanol(422-05-9) |
| EPA chemische Informationen | 1-Propanol, 2,2,3,3,3-pentafluoro- (422-05-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (92.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propanol, 2,2,3,3,3-pentafluoro-Status: Active Update: 22-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22960 |
| Gefahrenübersicht | Causes general anesthesia, gastrointestinal changes, and lung changes in oral lethal-dose studies of rats[RTECS] A skin and strong eye irritantToxic by ingestion[Alfa Aesar MSDS] See Trifluoroethanol and 1,3-Dichloro-2-propanol. |
| Hazard Classes and Categories | Acute Tox. 4 (92.5%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (mouse) = 10,0000 mg/m3 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1987 |
| Zollcode | 29055900 |
| RTECS-Nr. | UB8800000 |
| R-Sätze (R) | 22-36/37/38-20-10 |
| Toxizität | LDLo orl-rat: 2250 mg/kg JOCMA7 4,262,62 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-36/37/39-16 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralSTOT RE 2 Inhalation |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,2,3,3,3-Pentafluoro-1-Propanol is a useful reagent for the preparation of (oxoindolinyl)ethers/benzoates via photochemical O-H functionalization reactions of cyclic diazoamides.