HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzofuran-2-carboxaldehyd
BENZOFURAN-2-CARBALDEHYDE · 1-BENZOFURAN-2-CARBALDEHYDE · Coumarilaldehyde · BUTTPARK 98\04-15 · 2-Formylbenzofuran · RARECHEM AM LA 0016 · TIMTEC-BB SBB010059 · 2-BENZOFURAN ALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 4265-16-1 |
|---|---|
| Summenformel | C9H6O2 |
| Durchschnittliche Molmasse | 146,14 g/mol |
| Monoisotopische Masse | 146,03677943 g/mol |
| SMILES | O=Cc1cc2ccccc2o1 |
| InChIKey | ADDZHRRCUWNSCS-UHFFFAOYSA-N |
| PubChem CID | 61341 |
| ChEMBL | CHEMBL3189084 |
| ChEBI | CHEBI:193658 |
| EC No. | 224-248-6 |
| DTXSID | DTXSID4047121 |
| Lokaler Name | Benzofuran-2-carboxaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 156 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in waterslightly soluble (in ethanol)Not miscible or difficult to mix with water. |
| Siedepunkt | 130.00 to 131.00 °C. @ 13.00 mm Hg130-131 °C (13 mm Hg)135 °C18 mm Hg(lit.) |
| Schmelzpunkt | 195.00 to 198.00 °C. @ 760.00 mm Hg9-9.5 °C |
| Physical Description | Crystalline solid, bitter almond odour |
| Dichte | 1.206 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.633(lit.) |
| FEMA | 3128 | 2-BENZOFURANCARBOXALDEHYDE |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.206 |
| Farbe | Clear yellow to brown |
| Geruch | at 100.00 %. bitter almond |
| Geruchsart | fruity |
| JECFA Number | 751 |
| BRN | 2910 |
| InChI | 1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H |
| InChIKey | ADDZHRRCUWNSCS-UHFFFAOYSA-N |
| SMILES | O=Cc1cc2ccccc2o1 |
| LogP (Verteilungskoeffizient) | 2.09 |
| CAS Datenbank | 4265-16-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzofuran-2-carboxaldehyde(4265-16-1) |
| EPA chemische Informationen | 2-Benzofurancarboxaldehyde (4265-16-1) |
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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-BenzofurancarboxaldehydeCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Benzofurancarboxaldehyde: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29329990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Benzofurancarboxaldehyde may be used in the preparation of (E)-3-(benzofuran-2′-ylmethylidene)-1-methyl-2-indolinone and 1-(benzofuran-2-yl)methanol.
Herstellung & Synthese
synthetische
By the Gattermann process; also from coumaryloyl cyanide.