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Pentafluorphenol
PFP · 2,3,4,5,6-PENTAFLUOROPHENOL · PFP-OH · HOPFP · PERFLUOROPHENOL · Pentaflurophenol · PENTAFLUORPHENOL · 2,3,4,5,6-PENTAFLUOROHYDROXYBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 771-61-9 |
|---|---|
| Summenformel | C6HF5O |
| Durchschnittliche Molmasse | 184,06 g/mol |
| Monoisotopische Masse | 183,99475546 g/mol |
| SMILES | Oc1c(F)c(F)c(F)c(F)c1F |
| InChIKey | XBNGYFFABRKICK-UHFFFAOYSA-N |
| PubChem CID | 13041 |
| EC No. | 212-235-8 |
| DTXSID | DTXSID9061120 |
| Lokaler Name | Pentafluorphenol |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 150 |
| Physical Description | White crystalline solid with an odor of phenolmp = 32-36 deg C[Alfa Aesar MSDS] |
| Ionization Efficiency | Negative0.9110.5Agilent XCTElectrospray ionizationammonia (10nM) |
| Schmelzpunkt | 34-36 °C (lit.) |
| Siedepunkt | 143 °C (lit.) |
| Dichte | 1.757 |
| Brechungsindex | 1.4270 |
| Flammpunkt | 162 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)soluble |
| Aggregatzustand | Low Melting Crystalline Solid |
| pKa (Säurekonstante) | 5.50±0.33(Predicted) |
| Wichte | 1.757 |
| Farbe | White to almost white |
| BRN | 1912584 |
| Stabilität | Stable. Incompatible with strong oxidizing agents, bases, acid chlorides, acid anhydrides. |
| InChI | 1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
| InChIKey | XBNGYFFABRKICK-UHFFFAOYSA-N |
| SMILES | Oc1c(F)c(F)c(F)c(F)c1F |
| CAS Datenbank | 771-61-9(CAS DataBase Reference) |
| NIST chemische Informationen | Phenol, pentafluoro-(771-61-9) |
| EPA chemische Informationen | Pentafluorophenol (771-61-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.9% (4 of 58) of reports.DangerH302 (24.1%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (24.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (13.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (69%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (70.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (70.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 4 of 58 reports by companies.There are 11 notifications provided by 54 of 58 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 25-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/28416Pentafluorophenol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestion and skin absorption[Alfa Aesar MSDS] See 2-Fluorophenol. See Pentachlorophenol. |
| Hazard Classes and Categories | Acute Tox. 4 (24.1%) |
Anwendungen & Verwendung
Verwenden
Pentafluorophenol is used in the preparation of pentafluorophenyl esters for peptide synthesis and vulcanized polymers. It is also used for peptide coupling and heterocyclic acid derivatives. It is involved in the preparation of pentafluorophenyl formate which acts as a formulating agent for amines and amino acids.