HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(Pentafluorphenyl)acetonitril
pentaflurochlorobenzene · PENTAFLUOROPHENYLACETONITRILE · Pentafluorobenzeneacetonitrile · 2-(Perfluorophenyl)acetonitrile · Pentafluorophenylacetonitrile98% · Pentafluorophenylacetonitrile 98% · 2-(Pentafluorophenyl)acetonitrile · 2,3,4,5,6-PENTAFLUOROBENZYL CYANIDE
Identifikatoren & physikalische Daten
| CAS No. | 653-30-5 |
|---|---|
| Summenformel | C8H2F5N |
| Durchschnittliche Molmasse | 207,1 g/mol |
| Monoisotopische Masse | 207,01074016 g/mol |
| SMILES | N#CCc1c(F)c(F)c(F)c(F)c1F |
| InChIKey | YDNOJUAQBFXZCR-UHFFFAOYSA-N |
| PubChem CID | 69554 |
| ChEMBL | CHEMBL1977371 |
| EC No. | 211-498-6 |
| DTXSID | DTXSID10215643 |
| Lokaler Name | (Pentafluorphenyl)acetonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 233 |
| Siedepunkt | 107-111 °C17 mm Hg(lit.) |
| Dichte | 1.61 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.439(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Wichte | 1.610 |
| Löslichkeit | Insoluble in water. |
| BRN | 1882341 |
| CAS Datenbank | 653-30-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2,3,4,5,6-Pentafluorophenylacetonitrile is used as medicine and liquid crystal materials intermediates. Ortho or para substituted dimers and a mixture of trimers, tetramers and pentamers of PFPA coulb be obtained from 2,3,4,5,6-Pentafluorophenylacetonitrile.