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Pentafluorpyridin
PERFLUOROPYRIDINE · 2,3,4,5,6-PENTAFLUOROPYRIDINE · PENTAFLUOROPYRIDINE · Pentafluoropyridine>Pentafluoropyridine 99% · 5-Chloro-2-caynopyridine · PENTAFLUOROPYRIDINE, 99+% · 2,3,4,5,6-Perfluoropyridine · Pentafluoropyridine, 99+% 5GR
Identifikatoren & physikalische Daten
| CAS No. | 700-16-3 |
|---|---|
| Summenformel | C5F5N |
| Durchschnittliche Molmasse | 169,05 g/mol |
| Monoisotopische Masse | 168,9950901 g/mol |
| SMILES | Fc1nc(F)c(F)c(F)c1F |
| InChIKey | XTGOWLIKIQLYRG-UHFFFAOYSA-N |
| PubChem CID | 69690 |
| EC No. | 211-839-9 |
| DTXSID | DTXSID70220258 |
| Lokaler Name | Pentafluorpyridin |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 129 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Schmelzpunkt | -42 |
| Siedepunkt | 83-85 °C |
| Dichte | 1.54 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.386(lit.) |
| Flammpunkt | 75 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | -12.08±0.28(Predicted) |
| Farbe | Clear colorless |
| Wichte | 1.62 |
| Löslichkeit | Not miscible or difficult to mix in water. |
| BRN | 1427064 |
| InChI | 1S/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8 |
| InChIKey | XTGOWLIKIQLYRG-UHFFFAOYSA-N |
| SMILES | Fc1nc(F)c(F)c(F)c1F |
| CAS Datenbank | 700-16-3(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, pentafluoro-(700-16-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (98.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 10-20/21/22-36/37/38 |
| Gefahrensymbole | Xn,F,Xi |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 26-28-24/25-16 |
| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Pentafluoropyridine was used in the preparation of η2-C,C coordinated pentafluoropyridine complex. It was also used in the preparation of polyfluorinated coupling products via Pd(0)-catalyzed cross-coupling reaction with diarylzinc compounds. It was also used as derivatizing reagent in the sensitive GC-MS method for determination of the four endocrine disrupting chemicals.