HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Furaldehyde
FURAN-3-CARBALDEHYDE · 3-FURFURAL · 3-FURANCARBOXALDEHYDE · 3FCHO · SKL074 · 3-Falfural · 3-formylfuran · 3-FURALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 498-60-2 |
|---|---|
| Summenformel | C5H4O2 |
| Durchschnittliche Molmasse | 96,08 g/mol |
| Monoisotopische Masse | 96,02112937 g/mol |
| SMILES | O=Cc1ccoc1 |
| InChIKey | AZVSIHIBYRHSLB-UHFFFAOYSA-N |
| PubChem CID | 10351 |
| ChEMBL | CHEMBL2228160 |
| ChEBI | CHEBI:87609 |
| EC No. | 629-448-0 |
| DTXSID | DTXSID40198076 |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 70,5 |
| Stoffklassen | Other Classes -> Aldehydes |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 0.51 |
| Dampfdruck | 5.33 [mmHg] |
| Physical Description | Yellow or brown liquid with an almond-like odor[Alfa Aesar MSDS] |
| Schmelzpunkt | 148-149.5 °C |
| Siedepunkt | 144 °C/732 mmHg (lit.) |
| Dichte | 1.111 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.493(lit.) |
| Flammpunkt | 119 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Soluble), Ethyl Acetate (Slightly)Soluble in water, benzene, chloroform, alcohol and ether. |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow to brown |
| Biologische Quelle | synthetic |
| BRN | 105852 |
| Stabilität | Light Sensitive |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H |
| InChIKey | AZVSIHIBYRHSLB-UHFFFAOYSA-N |
| SMILES | O=Cc1ccoc1 |
| LogP (Verteilungskoeffizient) | 0.510 |
| CAS Datenbank | 498-60-2(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Furaldehyde(498-60-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 3-Furancarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritantHighly toxic by ingestion and inhalation[Alfa Aesar MSDS] See Furfural. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1989 3/PG 3 |
| Zollcode | 2932190090 |
| R-Sätze (R) | 10-36/37/38-23/25-21 |
| Gefahrensymbole | Xi,F,T |
| hazard_note | Flammable/Harmful |
| Sicherheitshinweise (S) | 26-36-45-36/37-16-3 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Furaldehyde is a volatile compound of honey of various floral origin. It is used to produce N-furan-3-ylmethylene-N'-pyridin-2-yl-hydrazine by reaction with 2-hydrazino-pyridine. It is also used as a solvent.
Herstellung & Synthese
synthetische
synthesis of 3-furaldehyde: dissolve 3-furanmethanol (12.0g,0.12mol,1.0eq) in tetrahydrofuran (500ml), add manganese dioxide (156.4g,1.2mol,10.0eq), stir for 18 hours at room temperature, tlc showed that the reaction was completed. the product (9.0g crude) was obtained by filtration and the filtrate was concentrated.