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2,3-Dihydrobenzofuran-5-carboxaldehyd
2,3-DIHYDROBENZOFURAN-5-CARBALDEHYDE · 2,3-Dihydro-1-benzofuran-5-carboxaldehyde · AKOS MSC-0772 · 5-ForMylcouMaran · BUTTPARK 27\04-60 · TIMTEC-BB SBB005559 · Ramelteon Impurity 31 · CouMarancarboxaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 55745-70-5 |
|---|---|
| Summenformel | C9H8O2 |
| Durchschnittliche Molmasse | 148,16 g/mol |
| Monoisotopische Masse | 148,05242949 g/mol |
| SMILES | O=Cc1ccc2c(c1)CCO2 |
| InChIKey | WEBVDBDZSOJGPB-UHFFFAOYSA-N |
| PubChem CID | 735901 |
| ChEMBL | CHEMBL1650257 |
| EC No. | 259-788-1 |
| DTXSID | DTXSID60204300 |
| Lokaler Name | 2,3-Dihydrobenzofuran-5-carboxaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 156 |
| Schmelzpunkt | 191~193℃ |
| Siedepunkt | 88-89 °C/0.1 mmHg (lit.) |
| Dichte | 1.177 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.6000(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C(protect from light) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| InChI | 1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5-6H,3-4H2 |
| InChIKey | WEBVDBDZSOJGPB-UHFFFAOYSA-N |
| SMILES | O=Cc1ccc2OCCc2c1 |
| CAS Datenbank | 55745-70-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH334 (93%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Resp. Sens. 1 (93%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29329990 |
| R-Sätze (R) | 43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39 |
| Gefahrenklasse | IRRITANTResp. Sens. 1 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Hair dye composition.