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Pentafluorbenzaldehyd
2,3,4,5,6-PENTAFLUOROBENZALDEHYDE · PERFLUOROBENZALDEHYDE · PENTAFLUORBENZALDEHYDE · PENTAFLUOROBENZALDEHYDE · Benzaldehyde, pentafluoro- · Pentafluorobenzaldehyde>Pentafluorobenzaldehyde 98% · Pentafluorobenzaldehyde ,97% · Pentafluorobenzaldehyde, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 653-37-2 |
|---|---|
| Summenformel | C7HF5O |
| Durchschnittliche Molmasse | 196,07 g/mol |
| Monoisotopische Masse | 195,99475575 g/mol |
| SMILES | O=Cc1c(F)c(F)c(F)c(F)c1F |
| InChIKey | QJXCFMJTJYCLFG-UHFFFAOYSA-N |
| PubChem CID | 69558 |
| EC No. | 211-502-6 |
| DTXSID | DTXSID4022101 |
| Lokaler Name | Pentafluorbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 183 |
| Schmelzpunkt | 24-28 °C(lit.) |
| Siedepunkt | 164-166 °C(lit.) |
| Dichte | 1.588 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.45(lit.) |
| Flammpunkt | 172 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid After Melting |
| Wichte | 1.588 |
| Farbe | Clear yellow |
| Löslichkeit | Sparingly Soluble in water (0.027 g/L at 25°C). |
| BRN | 1876550 |
| InChI | InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H |
| InChIKey | QJXCFMJTJYCLFG-UHFFFAOYSA-N |
| SMILES | C(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| CAS Datenbank | 653-37-2(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, P317, 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 50 reports by companies from 10 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 |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29130000 |
| RTECS-Nr. | CU7542000 |
| R-Sätze (R) | 20/22-36/37/38-20 |
| Gefahrensymbole | Xn,F,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 6.1Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Pentafluorobenzaldehyde was used as derivatization reagent in a study to develop a sensitive method for the determination of primary amines in sewage sludge by headspace solid-phase micro extraction and gas chromatography-tandem mass spectrometry. It was used in the synthesis of novel, high molecular weight fluorinated aromatic polymers.