HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Oxo-4H-1-benzopyran-3-carboxaldehyd
3-FORMYLCHROMONE · 4-OXO-4H-CHROMENE-3-CARBALDEHYDE · KAN-104141 · AKOS B022468 · AURORA KA-4820 · BUTTPARK 29\06-40 · AKOS BBS-00006952 · 3-Formylchromone 97%
Identifikatoren & physikalische Daten
| CAS No. | 17422-74-1 |
|---|---|
| Summenformel | C10H6O3 |
| Durchschnittliche Molmasse | 174,15 g/mol |
| Monoisotopische Masse | 174,03169405 g/mol |
| SMILES | O=Cc1coc2ccccc2c1=O |
| InChIKey | FSMYWBQIMDSGQP-UHFFFAOYSA-N |
| PubChem CID | 87112 |
| ChEMBL | CHEMBL86905 |
| EC No. | 241-451-5 |
| DTXSID | DTXSID30169795 |
| Lokaler Name | 4-Oxo-4H-1-benzopyran-3-carboxaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 267 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 151-153 °C (lit.) |
| Siedepunkt | 245.11°C (rough estimate) |
| Dichte | 1.2135 (rough estimate) |
| Brechungsindex | 1.4500 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| Farbe | Orange |
| BRN | 472849 |
| InChI | InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H |
| InChIKey | FSMYWBQIMDSGQP-UHFFFAOYSA-N |
| SMILES | C1OC2=CC=CC=C2C(=O)C=1C=O |
| CAS Datenbank | 17422-74-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29329900 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Formylchromone may be used in the following studies:Preparation of library of novel (E)-3-(2-arylcarbonyl-3-(arylamino)allyl)-4H-chromen-4-ones, by three-component domino reactions with (E)-3-(dimethylamino)-1-arylprop-2-en-1-ones and anilines under catalyst-free conditions.Facile and ecofriendly synthesis of new chromonyl chalcones.Synthesis of 3-(2-hydroxybenzoyl)quinolines and 7H-chromeno[3,2-c]quinolin-7-ones.