HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Furonitril
FURAN-2-CARBONITRILE · 2-FURANCARBONITRILE · AKOS B004255 · 2-CYANOFURAN · 2-FURONITRILE · 2-Cyanofurane · 2-Furyl cyanide · Pyromuconitrile
Identifikatoren & physikalische Daten
| CAS No. | 617-90-3 |
|---|---|
| Summenformel | C5H3NO |
| Durchschnittliche Molmasse | 93,08 g/mol |
| Monoisotopische Masse | 93,02146372 g/mol |
| SMILES | N#Cc1ccco1 |
| InChIKey | YXDXXGXWFJCXEB-UHFFFAOYSA-N |
| PubChem CID | 69245 |
| EC No. | 210-537-4 |
| DTXSID | DTXSID40210707 |
| Lokaler Name | 2-Furonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 102 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 0.96 |
| Schmelzpunkt | 147-148 °C |
| Siedepunkt | 146-148 °C(lit.) |
| Dichte | 1.064 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.479(lit.) |
| Flammpunkt | 95 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid |
| Wichte | 1.06 |
| Farbe | Clear light yellow to light orange |
| Löslichkeit | Soluble in most common organic solvents. Slightly soluble in water. |
| BRN | 107033 |
| InChI | 1S/C5H3NO/c6-4-5-2-1-3-7-5/h1-3H |
| InChIKey | YXDXXGXWFJCXEB-UHFFFAOYSA-N |
| SMILES | N#Cc1ccco1 |
| LogP (Verteilungskoeffizient) | 0.960 |
| CAS Datenbank | 617-90-3(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Furancarbonitrile(617-90-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29299090 |
| R-Sätze (R) | 10-20/21/22-41 |
| Gefahrensymbole | Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36/37/39-36/37-16 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Furonitrile is used as a extractive distillation solvent and as a sweetening agent. It is also used as an intermediate in pharmaceutical and fine chemical synthesis. 2-Furonitrile was employed as substrate to investigate the substrate specificity of nitrilase from Rhodococcus rhodochrous Jl cell.